Drug Information

Drug General Information
Drug ID
D0BD6A
Former ID
DNC008125
Drug Name
GT-1282
Synonyms
NIBR-1282
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529307]
Structure
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2D MOL

3D MOL
Formula
C30H37N5O2
Canonical SMILES
CC1=C(C(=[N+](C=C1)[O-])C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)N<br />(C4=CC=CC=C4)C5=CN=CC=C5
InChI
1S/C30H37N5O2/c1-23-11-19-34(37)24(2)28(23)29(36)32-20-14-30(3,15-21-32)33-17-12-26(13-18-33)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16,19,22,26H,12-15,17-18,20-21H2,1-3H3
InChIKey
DDVVRHNNOPQPGB-UHFFFAOYSA-N
PubChem Compound ID
10278617
Target and Pathway
Target(s) C-C chemokinereceptor type 5 Target Info Inhibitor [529307]
KEGG Pathway Cytokine-cytokine receptor interaction
Chemokine signaling pathway
Endocytosis
Toxoplasmosis
Viral carcinogenesis
NetPath Pathway TSLP Signaling Pathway
TCR Signaling Pathway
IL2 Signaling Pathway
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathway
Pathway Interaction Database IL12-mediated signaling events
Reactome Binding and entry of HIV virion
Chemokine receptors bind chemokines
G alpha (i) signalling events
WikiPathways TCR Signaling Pathway
GPCRs, Class A Rhodopsin-like
HIV Life Cycle
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
GPCRs, Other
References
Ref 529307Bioorg Med Chem Lett. 2008 Mar 15;18(6):2000-5. Epub 2008 Feb 2.Reduced cardiac side-effect potential by introduction of polar groups: discovery of NIBR-1282, an orally bioavailable CCR5 antagonist which is active in vivo.
Ref 529307Bioorg Med Chem Lett. 2008 Mar 15;18(6):2000-5. Epub 2008 Feb 2.Reduced cardiac side-effect potential by introduction of polar groups: discovery of NIBR-1282, an orally bioavailable CCR5 antagonist which is active in vivo.

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