Drug Information

Drug General Information
Drug ID
D08WBF
Former ID
DCL000014
Drug Name
BB-3644
Drug Type
Small molecular drug
Indication Cancer [ICD9: 140-229; ICD10:C00-C96] Terminated [535909]
Therapeutic Class
Anticancer Agents
Company
Vernalis
Structure
Download
2D MOL

3D MOL
Formula
C20H32N4O5
Canonical SMILES
CC(C)CC(C(C(=O)NO)OC)C(=O)NC(C(=O)NC1=CC=CC=N1)C(C)(C)C
InChI
1S/C20H32N4O5/c1-12(2)11-13(15(29-6)18(26)24-28)17(25)23-16(20(3,4)5)19(27)22-14-9-7-8-10-21-14/h7-10,12-13,15-16,28H,11H2,1-6H3,(H,23,25)(H,24,26)(H,21,22,27)/t13-,15+,16-/m1/s1
InChIKey
WORSVFBVUCBRIP-VNQPRFMTSA-N
CAS Number
CAS 143257-98-1
PubChem Compound ID
56841180
Target and Pathway
Target(s) Matrilysin Target Info Inhibitor [528049], [535909]
72 kDa type IV collagenase Target Info Inhibitor [528049], [535909]
Interstitial collagenase Target Info Inhibitor [528049], [535909]
KEGG Pathway Wnt signaling pathwayhsa04670:Leukocyte transendothelial migration
GnRH signaling pathway
Estrogen signaling pathway
Pathways in cancer
Proteoglycans in cancer
Bladder cancerhsa03320:PPAR signaling pathway
Bladder cancer
Rheumatoid arthritis
NetPath Pathway Wnt Signaling PathwayNetPath_22:Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling PathwayNetPath_13:IL1 Signaling Pathway
EGFR1 Signaling Pathway
TWEAK Signaling Pathway
Wnt Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Wnt signaling pathway
CCKR signaling map STP00004:Alzheimer disease-presenilin pathwayP00004:Alzheimer disease-presenilin pathway
Plasminogen activating cascade
Pathway Interaction Database Posttranslational regulation of adherens junction stability and dissassembly
p75(NTR)-mediated signaling
Syndecan-1-mediated signaling eventslysophospholipid_pathway:LPA receptor mediated events
Plasma membrane estrogen receptor signaling
Osteopontin-mediated events
Validated transcriptional targets of AP1 family members Fra1 and Fra2
Angiopoietin receptor Tie2-mediated signaling
Direct p53 effectors
amb2 Integrin signaling
ATF-2 transcription factor network
FOXM1 transcription factor network
Regulation of nuclear beta catenin signaling and target gene transcription
Syndecan-2-mediated signaling eventsendothelinpathway:Endothelins
Glucocorticoid receptor regulatory network
AP-1 transcription factor network
Syndecan-1-mediated signaling events
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Assembly of collagen fibrils and other multimeric structuresR-HSA-1442490:Collagen degradation
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
EPH-ephrin mediated repulsion of cellsR-HSA-1442490:Collagen degradation
Basigin interactions
WikiPathways Wnt Signaling Pathway and Pluripotency
Activation of Matrix Metalloproteinases
AGE/RAGE pathway
Matrix MetalloproteinasesWP2769:Activation of Matrix Metalloproteinases
Matrix MetalloproteinasesWP366:TGF beta Signaling Pathway
Bladder Cancer
Degradation of collagen
Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
Oncostatin M Signaling Pathway
Prostate Cancer
Integrated Breast Cancer Pathway
Integrated Cancer pathway
Cell surface interactions at the vascular wall
Matrix Metalloproteinases
References
Ref 535909A phase I and pharmacological study of the matrix metalloproteinase inhibitor BB-3644 in patients with solid tumours. Br J Cancer. 2004 Feb 23;90(4):800-4.
Ref 528049Tumour microenvironment - opinion: validating matrix metalloproteinases as drug targets and anti-targets for cancer therapy. Nat Rev Cancer. 2006 Mar;6(3):227-39.
Ref 535909A phase I and pharmacological study of the matrix metalloproteinase inhibitor BB-3644 in patients with solid tumours. Br J Cancer. 2004 Feb 23;90(4):800-4.

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