Details of the Drug

General Information of Drug (ID: DMHCZP0)

Drug Name

DPO-1

Synonyms

IKur blockers (atrial arrythmia), Merck & Co; Kv1.5 voltage-gated potassium channel antagonists (atrial arrythmia); Kv1.5 voltage-gated potassium channel antagonists (atrial arrythmia), Merck & Co

Indication

Disease Entry	ICD 11	Status	REF
Atrial fibrillation	BC81.3	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

340.4

Logarithm of the Partition Coefficient (xlogp)

6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C22H29OP
IUPAC Name: [[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-phenylphosphoryl]benzene
Canonical SMILES: C[C@@H]1CC[C@H]([C@H](C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)C
InChI: InChI=1S/C22H29OP/c1-17(2)21-15-14-18(3)16-22(21)24(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m1/s1
InChIKey: BPCNGVCAHAIZEE-COPCDDAFSA-N

Cross-matching ID

PubChem CID: 21678144
ChEBI ID: CHEBI:93748
CAS Number: 43077-30-1
TTD ID: D08LZZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel Kv1.5 (KCNA5)	TTW0CMT	KCNA5_HUMAN	Antagonist	[1]

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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. (Target id: 542).