Drug General Information
Drug ID
D0N6PV
Former ID
DNC004285
Drug Name
MK-852
Drug Type
Small molecular drug
Indication Thrombosis [ICD9: 437.6, 453, 671.5, 671.9; ICD10:I80-I82] Discontinued in Phase 2 [545011]
Structure
Download
2D MOL

3D MOL

Formula
C34H47N9O12S3
Canonical SMILES
CC(=O)NC1CSSCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C2C(SCN2C(=<br />O)C(NC1=O)CC(=O)N)(C)C)CC3=CC=C(C=C3)CN)CC(=O)O)C(=O)O
InChI
1S/C34H47N9O12S3/c1-16(44)38-22-13-57-58-14-23(33(54)55)42-29(50)20(10-26(47)48)39-25(46)12-37-28(49)19(8-17-4-6-18(11-35)7-5-17)40-31(52)27-34(2,3)56-15-43(27)32(53)21(9-24(36)45)41-30(22)51/h4-7,19-23,27H,8-15,35H2,1-3H3,(H2,36,45)(H,37,49)(H,38,44)(H,39,46)(H,40,52)(H,41,51)(H,42,50)(H,47,48)(H,54,55)/t19?,20-,21-,22+,23+,27-/m0/s1
InChIKey
IHTQUFFCUYSOIH-JUXWROAHSA-N
PubChem Compound ID
Target and Pathway
Target(s) Glycoprotein IIb/IIIa receptor Target Info Modulator [1572591]
Reactome Platelet degranulation
Elastic fibre formation
PECAM1 interactions
Molecules associated with elastic fibres
Integrin cell surface interactions
Syndecan interactions
ECM proteoglycans
Integrin alphaIIb beta3 signaling
GRB2:SOS provides linkage to MAPK signaling for Integrins
p130Cas linkage to MAPK signaling for integrins
VEGFA-VEGFR2 Pathway
MAP2K and MAPK activation
WikiPathways Focal Adhesion
Hematopoietic Stem Cell Differentiation
Human Complement System
Extracellular matrix organization
Arrhythmogenic Right Ventricular Cardiomyopathy
Integrin-mediated Cell Adhesion
L1CAM interactions
Integrin cell surface interactions
Integrin alphaIIb beta3 signaling
References
Ref 545011Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001868)
Ref 1572591Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.

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