Details of the Drug

General Information of Drug (ID: DM35KDA)

Drug Name

Ataciguat

Synonyms

Ataciguat [INN]; HMR 1766; HMR-1766; 5-Chloro-2-((5-chloro-2-thienyl)sulfonylamino)-N-(4-(morpholin-4-ylsulfonyl)phenyl)benzamide; 5-Chloro-2-(5-chlorothiophene-2-sulfonylamino)-N-(4-(morpholine-4-sulfonyl)phenyl)benzamide; 5-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

Indication

Disease Entry	ICD 11	Status	REF
Neuropathic pain	8E43.0	Phase 2	[1]
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Therapeutic Class

Analgesics

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

576.5

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C21H19Cl2N3O6S3
IUPAC Name: 5-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
Canonical SMILES: C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)NS(=O)(=O)C4=CC=C(S4)Cl
InChI: InChI=1S/C21H19Cl2N3O6S3/c22-14-1-6-18(25-34(28,29)20-8-7-19(23)33-20)17(13-14)21(27)24-15-2-4-16(5-3-15)35(30,31)26-9-11-32-12-10-26/h1-8,13,25H,9-12H2,(H,24,27)
InChIKey: PQHLRGARXNPFCF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 213037
CAS Number: 254877-67-3
DrugBank ID: DB12805
TTD ID: D0C2ZL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Atrial natriuretic peptide receptor A (NPR1)	TTJME02	ANPRA_HUMAN	Activator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	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. (Ligand id: 5141).
2	Pharma & Vaccines. Product Development Pipeline. April 29 2009.