Details of the Drug

General Information of Drug (ID: DM7EAG8)

Drug Name

Cilobradine

Synonyms

Cilobradine; UNII-5O1LL04GJ3; 5O1LL04GJ3; 147541-45-5; Cilobradine [INN]; DK-AH269; SCHEMBL628133; GTPL2355; CHEMBL1436376; ZINC13829377; NCGC00165786-01

Indication

Disease Entry	ICD 11	Status	REF
Cardiac arrhythmias	BC9Z	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

482.6

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C28H38N2O5
IUPAC Name: 3-[[(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
Canonical SMILES: COC1=C(C=C(C=C1)CCN2CCC[C@@H](C2)CN3CCC4=CC(=C(C=C4CC3=O)OC)OC)OC
InChI: InChI=1S/C28H38N2O5/c1-32-24-8-7-20(14-25(24)33-2)9-12-29-11-5-6-21(18-29)19-30-13-10-22-15-26(34-3)27(35-4)16-23(22)17-28(30)31/h7-8,14-16,21H,5-6,9-13,17-19H2,1-4H3/t21-/m0/s1
InChIKey: OBUFMJDDZTXJPY-NRFANRHFSA-N

Cross-matching ID

PubChem CID: 9869877
CAS Number: 147541-45-5
TTD ID: D0PO0B

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hyperpolarization cyclic nucleotide-gated channel (HCN)	TTKLW9S	NOUNIPROTAC	Modulator	[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: 2355).
2	Use-dependent blockade of cardiac pacemaker current (If) by cilobradine and zatebradine. Eur J Pharmacol. 2003 Oct 8;478(2-3):161-71.