Target Poor or Non Binder(s) Information

Target General Information

Target ID

T89988

Target Info

Target Name

C-C chemokine receptor type 2 (CCR2)

Synonyms

Monocyte chemoattractant protein 1 receptor; MCP-1-R; Chemokine receptor CCR2B; CMKBR2; CD192; CCR-2; CC-CKR-2; C-C CKR-2

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Target Type

Clinical trial Target

Gene Name

CCR2

Biochemical Class

GPCR rhodopsin

UniProt ID

P41597

Poor Binders of This Target (in total, 17 binders)

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Compound Name

N-[[1-[(4-Chlorophenyl)methyl]piperidin-4-yl]methyl]-5-oxo-5-phenylpentanamide

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Investigative

Compound Info

Synonyms

CHEMBL184220; BDBM50153957; 5-Oxo-5-phenyl-pentanoic acid [1-(4-chloro-benzyl)-piperidin-4-ylmethyl]-amide

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Activity

IC50 = 50000 nM

[1]

Compound Name

1-Biphenyl-4-ylmethyl-1H-indole-2-carboxylic acid

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Investigative

Compound Info

Synonyms

CHEMBL132719; BDBM50138360

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Activity

IC50 ~ 50000 nM

[2]

Compound Name

[2-[Methyl(oxan-4-yl)amino]-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

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Investigative

Compound Info

Synonyms

US8906911, Compound A; CHEMBL3650411; SCHEMBL12434399; BDBM140258

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Activity

IC50 ~ 50000 nM

[3]

Compound Name

11-Butyl-3-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methyl-4-piperidyl]-9-[(4-ethoxycyclohexyl)methyl]-3,9-diazaspiro[5.5]undecan-10-one

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Investigative

Compound Info

Synonyms

CHEMBL449621; SCHEMBL3963928; BDBM50254750

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Activity

IC50 ~ 50000 nM

[4]

Compound Name

PharmaGSID_48521

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Investigative

Compound Info

Synonyms

CHEMBL1078231; DSSTox_CID_28495; DSSTox_RID_82770; DSSTox_GSID_48521; DTXSID8048521; SCHEMBL18841093; Tox21_303454; BDBM50310739; NCGC00257432-01

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Activity

IC50 ~ 50000 nM

[5]

Compound Name

1-(4-Benzyloxy-benzyl)-5-chloro-1H-indole-2-carboxylic acid

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Investigative

Compound Info

Synonyms

CHEMBL335894; BDBM50138334

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Activity

IC50 ~ 50000 nM

[2]

Compound Name

1-(3,4-Dichloro-benzoyl)-1H-indole-2-carboxylic acid

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Investigative

Compound Info

Synonyms

CHEMBL338782; BDBM50138342

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Activity

IC50 ~ 50000 nM

[2]

Compound Name

N-(2-{[1-(4-Chloro-benzyl)-piperidin-4-ylmethyl]-carbamoyl}-ethyl)-benzamide

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Investigative

Compound Info

Synonyms

CHEMBL185190; BDBM50153956

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Activity

IC50 = 64000 nM

[1]

Compound Name

N-({[1-(4-Chloro-benzyl)-pyrrolidin-2-ylmethyl]-carbamoyl}-methyl)-benzamide

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Investigative

Compound Info

Synonyms

CHEMBL184474; BDBM50153947; Benzamide, N-[2-[[[1-[(4-chlorophenyl)methyl]-2-pyrrolidinyl]methyl]amino]-2-oxoethyl]-; N-[2-[[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methylamino]-2-oxo-ethyl]benzamide

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Activity

IC50 = 66000 nM

[1]

Compound Name

N-{2-[1-(4-Chloro-benzyl)-piperidin-3-ylcarbamoyl]-ethyl}-benzamide

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Investigative

Compound Info

Synonyms

CHEMBL364405; BDBM50153953

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Activity

IC50 = 74000 nM

[1]

Compound Name

5-Oxo-5-phenyl-pentanoic acid [1-(4-chloro-benzyl)-piperidin-3-yl]-amide

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Investigative

Compound Info

Synonyms

CHEMBL363994; BDBM50153961

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Activity

IC50 = 87000 nM

[1]

Compound Name

1-(2,4-Dichlorobenzyl)-3-(1H-indazol-5-yl)urea

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Investigative

Compound Info

Synonyms

CHEMBL224887; SCHEMBL5639644; BDBM50196709; N-(2,4-dichlorobenzyl)-N0-(1H-5-indazolyl)urea; 1-[(2,4-dichlorophenyl)methyl]-3-(1H-indazol-5-yl)urea

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Activity

IC50 ~ 100000 nM

[6]

Compound Name

1-(2,6-Dichlorobenzyl)-3-(1H-indazol-5-yl)urea

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Investigative

Compound Info

Synonyms

CHEMBL225224; SCHEMBL5640848; BDBM50196687; 1-(2,6-dichlorophenyl)-3-(3H-indazol-5-yl)urea; 1-[(2,6-dichlorophenyl)methyl]-3-(1H-indazol-5-yl)urea

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Activity

IC50 ~ 100000 nM

[6]

Compound Name

N1-(1-Benzyl-4-piperidyl)-N1-(1H-5-indazolyl)acetamide

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Investigative

Compound Info

Synonyms

CHEMBL427103; SCHEMBL5640590; BDBM50196714; N-(1-benzylpiperidin-4-yl)-N-(1H-indazol-5-yl)acetamide

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Activity

IC50 ~ 100000 nM

[6]

Compound Name

1-Benzyl-3-(1H-indazol-5-yl)urea

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Investigative

Compound Info

Synonyms

CHEMBL225282; SCHEMBL5643084; N-benzyl-N0-(1H-5-indazolyl)urea; BDBM50196697

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Activity

IC50 ~ 100000 nM

[6]

Compound Name

1-(4-Chloro-benzyl)-4-(4-methanesulfonyl-benzyl)-[1,4]diazepane

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Investigative

Compound Info

Synonyms

CHEMBL184304; BDBM50153914

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Activity

IC50 ~ 100000 nM

[7]

Compound Name

1-(2,6-Difluorobenzyl)-3-(1H-indazol-5-yl)urea

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Investigative

Compound Info

Synonyms

CHEMBL225560; SCHEMBL5639658; BDBM50196681; N-(2,6-difluorobenzyl)-N0-(1H-5-indazolyl)urea; 1-[(2,6-difluorophenyl)methyl]-3-(1H-indazol-5-yl)urea

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Activity

IC50 ~ 100000 nM

[6]

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References

Top

REF 1

Small molecule antagonists of the CCR2b receptor. Part 2: Discovery process and initial structure-activity relationships of diamine derivatives. Bioorg Med Chem Lett. 2004 Nov 1;14(21):5413-6.

REF 2

N-Benzylindole-2-carboxylic acids: potent functional antagonists of the CCR2b chemokine receptor. Bioorg Med Chem Lett. 2004 Jan 19;14(2):405-8.

REF 3

US patent application no. 8906911B2, Chemokine receptor antagonists

REF 4

Discovery of a potent, selective and orally bioavailable 3,9-diazaspiro[5.5]undeca-2-one CCR5 antagonist. Bioorg Med Chem Lett. 2009 Jan 1;19(1):209-13.

REF 5

Spiropiperidine CCR5 antagonists. Bioorg Med Chem Lett. 2009 Sep 15;19(18):5401-6.

REF 6

Design and synthesis of Rho kinase inhibitors (II). Bioorg Med Chem. 2007 Jan 1;15(1):350-64.

REF 7

Small molecule inhibitors of the CCR2b receptor. Part 1: Discovery and optimization of homopiperazine derivatives. Bioorg Med Chem Lett. 2004 Nov 1;14(21):5407-11.

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