Details of the Drug

General Information of Drug (ID: DMG9BFR)

Drug Name

DCDPC

Synonyms

dichloro-diphenylamine 2-carboxylic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

282.12

Logarithm of the Partition Coefficient (xlogp)

6.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H9Cl2NO2
IUPAC Name: 4-chloro-2-(3-chloroanilino)benzoic acid
Canonical SMILES: C1=CC(=CC(=C1)Cl)NC2=C(C=CC(=C2)Cl)C(=O)O
InChI: InChI=1S/C13H9Cl2NO2/c14-8-2-1-3-10(6-8)16-12-7-9(15)4-5-11(12)13(17)18/h1-7,16H,(H,17,18)
InChIKey: GSDQYSSLIKJJOG-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium-dependent chloride channel anoctamin (ANO)	TTOJI4S	ANO1_HUMAN	Blocker (channel blocker)	[2]

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Molecular Interaction Atlas (MIA)

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: 4173).
2	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: 708).