Drug Information

Drug General Information
Drug ID
D05VNG
Former ID
DNC003908
Drug Name
BB-1101
Drug Type
Small molecular drug
Indication Multiple scierosis [ICD9: 340; ICD10:G35] Terminated [1]
Structure
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2D MOL

3D MOL
Formula
C21H31N3O4
Canonical SMILES
CC(C)CC(C(CC=C)C(=O)NO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC
InChI
1S/C21H31N3O4/c1-5-9-16(20(26)24-28)17(12-14(2)3)19(25)23-18(21(27)22-4)13-15-10-7-6-8-11-15/h5-8,10-11,14,16-18,28H,1,9,12-13H2,2-4H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/m0/s1
InChIKey
GKHRDWHFKKUYAX-KSZLIROESA-N
PubChem Compound ID
9908389
Target and Pathway
Target(s) Interstitial collagenase Target Info Inhibitor [2]
72 kDa type IV collagenase Target Info Inhibitor [2]
Stromelysin-1 Target Info Inhibitor [2]
Neutrophil collagenase Target Info Inhibitor [3]
KEGG Pathway PPAR signaling pathway
Pathways in cancer
Bladder cancer
Rheumatoid arthritishsa04670:Leukocyte transendothelial migration
GnRH signaling pathway
Estrogen signaling pathway
Proteoglycans in cancer
Bladder cancerhsa04668:TNF signaling pathway
Transcriptional misregulation in cancer
Rheumatoid arthritis
NetPath Pathway IL1 Signaling Pathway
EGFR1 Signaling Pathway
TWEAK Signaling Pathway
Wnt Signaling PathwayNetPath_22:Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling PathwayNetPath_13:IL1 Signaling Pathway
IL4 Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Plasminogen activating cascadeP00004:Alzheimer disease-presenilin pathwayP00050:Plasminogen activating cascade
CCKR signaling map STP00004:Alzheimer disease-presenilin pathway
Pathway Interaction Database Endothelins
Validated transcriptional targets of AP1 family members Fra1 and Fra2
Glucocorticoid receptor regulatory network
AP-1 transcription factor network
Syndecan-1-mediated signaling eventslysophospholipid_pathway:LPA receptor mediated events
Plasma membrane estrogen receptor signaling
Osteopontin-mediated events
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 eventsajdiss_2pathway:Posttranslational regulation of adherens junction stability and dissassembly
p75(NTR)-mediated signaling
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Basigin interactions
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)R-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
Assembly of collagen fibrils and other multimeric structures
EGFR Transactivation by GastrinR-HSA-1442490:Collagen degradation
WikiPathways TGF beta Signaling Pathway
Bladder Cancer
Activation of Matrix Metalloproteinases
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 MetalloproteinasesWP2769:Activation of Matrix Metalloproteinases
AGE/RAGE pathway
Gastrin-CREB signalling pathway via PKC and MAPK
Matrix Metalloproteinases
References
REF 1Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800006361)
REF 2Bioorg Med Chem Lett. 1998 Jun 16;8(12):1443-8.Broad spectrum matrix metalloproteinase inhibitors: an examination of succinamide hydroxamate inhibitors with P1 C alpha gem-disubstitution.
REF 3J Med Chem. 1999 Nov 18;42(23):4890-908.New alpha-substituted succinate-based hydroxamic acids as TNFalpha convertase inhibitors.

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