Drug General Information
Drug ID
D0QK2E
Former ID
DNC005792
Drug Name
SCH-205831
Drug Type
Small molecular drug
Indication Thrombosis [ICD9: 437.6, 453, 671.5, 671.9; ICD10:I80-I82] Investigative [528902]
Structure
Download
2D MOL

3D MOL

Formula
C27H28F3NO2
Canonical SMILES
CC1C2C(CC3CCCCC3C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)C(F)(F)F<br />)C(=O)O1
InChI
1S/C27H28F3NO2/c1-16-25-23(22-8-3-2-5-18(22)14-24(25)26(32)33-16)12-11-21-10-9-19(15-31-21)17-6-4-7-20(13-17)27(28,29)30/h4,6-7,9-13,15-16,18,22-25H,2-3,5,8,14H2,1H3/b12-11+/t16-,18+,22-,23+,24-,25+/m1/s1
InChIKey
PQLBJVPZXNPVOS-HLBWOJLBSA-N
PubChem Compound ID
Target and Pathway
Target(s) Thrombin receptor Target Info Inhibitor [528902]
KEGG Pathway Rap1 signaling pathway
Calcium signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Endocytosis
PI3K-Akt signaling pathway
Complement and coagulation cascades
Platelet activation
Regulation of actin cytoskeleton
Pathways in cancer
NetPath Pathway TGF_beta_Receptor Signaling Pathway
TCR Signaling Pathway
PANTHER Pathway Angiogenesis
Blood coagulation
Pathway Interaction Database PAR1-mediated thrombin signaling events
Reactome Common Pathway of Fibrin Clot Formation
Peptide ligand-binding receptors
G alpha (q) signalling events
Thrombin signalling through proteinase activated receptors (PARs)
WikiPathways Complement and Coagulation Cascades
Regulation of Actin Cytoskeleton
GPCRs, Class A Rhodopsin-like
IL1 and megakaryotyces in obesity
Apoptosis-related network due to altered Notch3 in ovarian cancer
Hematopoietic Stem Cell Differentiation
Gastrin-CREB signalling pathway via PKC and MAPK
Thrombin signalling through proteinase activated receptors (PARs)
GPCR ligand binding
GPCR downstream signaling
GPCRs, Other
References
Ref 528902Bioorg Med Chem Lett. 2007 Aug 15;17(16):4509-13. Epub 2007 Jun 15.Himbacine derived thrombin receptor (PAR-1) antagonists: SAR of the pyridine ring.
Ref 528902Bioorg Med Chem Lett. 2007 Aug 15;17(16):4509-13. Epub 2007 Jun 15.Himbacine derived thrombin receptor (PAR-1) antagonists: SAR of the pyridine ring.

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