Details of the Drug

General Information of Drug (ID: DM0XU4P)

Drug Name

ICI-181037

Synonyms

ZM-181037

Indication

Disease Entry	ICD 11	Status	REF
Heart arrhythmia	BC65	Terminated	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

414.5

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C24H34N2O4
IUPAC Name: 2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide
Canonical SMILES: C[C@H]([C@@](C1=CC=CC=C1OCC(=O)N)(C2=C(C=CC(=C2)C(C)(C)C)OC)O)N(C)C
InChI: InChI=1S/C24H34N2O4/c1-16(26(5)6)24(28,18-10-8-9-11-21(18)30-15-22(25)27)19-14-17(23(2,3)4)12-13-20(19)29-7/h8-14,16,28H,15H2,1-7H3,(H2,25,27)/t16-,24-/m1/s1
InChIKey: DLGGQRFVOGBFAX-VOIUYBSRSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Potassium channel unspecific (KC)	TT1VOHK	NOUNIPROTAC	Opener	[2]

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

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction 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 800001161)
2	ICI 181,037: a novel eukalemic diuretic with antiarrhythmic activity. Jpn J Pharmacol. 1991 Nov;57(3):263-77.