Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D04PEI
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| Former ID |
DNC002386
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| Drug Name |
BMS-509744
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| Synonyms |
BMS-509744; 439575-02-7; BMS 509744; CHEMBL209148; N-(5-((5-(4-Acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl)thio)thiazol-2-yl)-4-(((3,3-dimethylbutan-2-yl)amino)methyl)benzamide; N-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide; GTPL9994; SCHEMBL14460651; KS-00001CVA; CHEBI:91404; MolPort-039-101-283; C32H41N5O4S2; BMS509744; BDBM50186460; 3499AH; compound 3 [PMID:16682193]; AKOS025142036; NCGC00229512-02; NCGC00229512-01
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| Drug Type |
Small molecular drug
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| Indication | Inflammation [ICD-11: 1A00-CA43.1] | Investigative | [1], [2] | |
| Company |
Bristol-Myers Squibb
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| Structure |
 |
Download2D MOL |
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| Formula |
C32H41N5O4S2
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| Canonical SMILES |
CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC
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| InChI |
1S/C32H41N5O4S2/c1-20-16-26(41-7)25(30(40)37-14-12-36(13-15-37)22(3)38)17-27(20)42-28-19-34-31(43-28)35-29(39)24-10-8-23(9-11-24)18-33-21(2)32(4,5)6/h8-11,16-17,19,21,33H,12-15,18H2,1-7H3,(H,34,35,39)
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| InChIKey |
ZHXNIYGJAOPMSO-UHFFFAOYSA-N
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| CAS Number |
CAS 439575-02-7
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:91404
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | T-cell-specific kinase (ITK) | Target Info | Inhibitor | [1], [2] |
| KEGG Pathway | Chemokine signaling pathway | |||
| T cell receptor signaling pathway | ||||
| Leukocyte transendothelial migration | ||||
| NetPath Pathway | IL2 Signaling Pathway | |||
| Pathway Interaction Database | Fc-epsilon receptor I signaling in mast cells | |||
| TCR signaling in naï | ||||
| Class I PI3K signaling events | ||||
| Reactome | Generation of second messenger molecules | |||
| FCERI mediated Ca+2 mobilization | ||||
| WikiPathways | TCR Signaling Pathway | |||
| T-Cell Receptor and Co-stimulatory Signaling | ||||
| TCR signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Treatment of depersonalization with serotonin reuptake blockers. J Clin Psychopharmacol. 1990 Jun;10(3):200-3. | |||
| REF 2 | ITK inhibitors in inflammation and immune-mediated disorders. Curr Top Med Chem. 2009;9(8):690-703. | |||
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