Details of the Drug

General Information of Drug (ID: DMKQHE5)

Drug Name

BI-11634

Indication

Disease Entry	ICD 11	Status	REF
Thrombosis	DB61-GB90	Phase 1	[1]

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

464.9

Topological Polar Surface Area

Not Available

Rotatable Bond Count

6

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C22H22ClN4NaO4
IUPAC Name: sodium;[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-[3-methyl-4-(3-oxomorpholin-4-yl)benzoyl]azanide
Canonical SMILES: CC1=C(C=CC(=C1)C(=O)[N-][C@@H](COC)C2=NC3=C(N2)C=C(C=C3)Cl)N4CCOCC4=O.[Na+]
InChI: InChI=1S/C22H23ClN4O4.Na/c1-13-9-14(3-6-19(13)27-7-8-31-12-20(27)28)22(29)26-18(11-30-2)21-24-16-5-4-15(23)10-17(16)25-21;/h3-6,9-10,18H,7-8,11-12H2,1-2H3,(H2,24,25,26,29);/q;+1/p-1/t18-;/m0./s1
InChIKey: OJSUHLVJVGHFKW-FERBBOLQSA-M

Cross-matching ID

PubChem CID: 117587663
CAS Number: 1622159-00-5
TTD ID: D00ZPT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor Xa (F10)	TTCIHJA	FA10_HUMAN	Inhibitor	[2], [3]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Thrombosis

ICD Disease Classification

DB61-GB90

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Coagulation factor Xa (F10)	DTT	F10	4.84E-02	-0.28	-0.9

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800041083)
2	Semuloparin for the prevention of venous thromboembolic events in cancer patients. Drugs Today (Barc). 2012 Jul;48(7):451-7.
3	Venous thromboembolism in the patient with cancer: focus on burden of disease and benefits of thromboprophylaxis. Cancer. 2011 Apr 1;117(7):1334-49.
4	Pfizer. Product Development Pipeline. March 31 2009.
5	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
6	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).
7	2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
8	Company report (Portola)
9	Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
10	Serum zinc concentrations: contamination from laboratory equipment. JPEN J Parenter Enteral Nutr. 1979 May-Jun;3(3):179-81.
11	Biochemistry and clinical pharmacology of new anticoagulant agents. Pathophysiol Haemost Thromb. 2002 Sep-Dec;32(5-6):218-24.
12	Effect of factor X inhibition on coagulation activation and cytokine induction in human systemic inflammation. J Infect Dis. 2002 Nov 1;186(9):1270-6.
13	Haemophilia B: Christmas disease. Expert Opin Pharmacother. 2005 Aug;6(9):1517-24.