Details of the Drug

General Information of Drug (ID: DMZ0F7E)

Drug Name
3-chlorophenyl 2-oxo-2H-chromene-3-carboxylate
Synonyms CHEMBL199203; SCHEMBL7682509; 2-Oxo-2H-1-benzopyran-3-carboxylic acid 3-chlorophenyl ester
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 300.69
Topological Polar Surface Area (xlogp) 4.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H9ClO4
IUPAC Name
(3-chlorophenyl) 2-oxochromene-3-carboxylate
Canonical SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OC3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H9ClO4/c17-11-5-3-6-12(9-11)20-15(18)13-8-10-4-1-2-7-14(10)21-16(13)19/h1-9H
InChIKey
HDIMJBWUBWTFNJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11616411
TTD ID
D0P3OH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Coagulation factor IIa (F2) TT6L509 THRB_HUMAN Inhibitor [1]
Coagulation factor Xa (F10) TTCIHJA FA10_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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2 Pfizer. Product Development Pipeline. March 31 2009.
3 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
4 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2359).
5 2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
6 Company report (Portola)
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16 Mullard A: 2010 FDA drug approvals. Nat Rev Drug Discov. 2011 Feb;10(2):82-5.
17 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
18 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2362).
19 Recombinant hirudin (lepirudin) as anticoagulant in intensive care patients treated with continuous hemodialysis. Kidney Int Suppl. 1999 Nov;(72):S46-50.
20 Anticoagulation with anisindione in a patient with a warfarin-induced skin eruption. Pharmacotherapy. 2003 Apr;23(4):533-6.
21 Antithrombin III Utilization in a Large Teaching Hospital. P T. 2013 December; 38(12): 764-767, 779.