Details of the Drug

General Information of Drug (ID: DMO90RN)

Drug Name

Y-27152

Synonyms

Y-27152; 127408-30-4; N-(Benzyloxy)-N-((3S,4R)-6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl)acetamide; N-[(3S,4R)-6-Cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-(phenylmethoxy)acetamide; NCGC00092304-01; AC1OCF4F; SCHEMBL8864736; CHEMBL1476996; CHEBI:92752; CTK4B5603; MolPort-003-983-713; HMS3268J07; ZINC3789145; Acetamide,N-[(3S,4R)-6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-(phenylmethoxy)-; BN0549; AKOS022180527; AJ-45617; CC-31938; B6940; FT-0643069; C-35545; BRD-K42679050-001-01-3

Indication

Disease Entry	ICD 11	Status	REF
Angina pectoris	BA40	Discontinued in Phase 2	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

366.4

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C21H22N2O4
IUPAC Name: N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-phenylmethoxyacetamide
Canonical SMILES: CC(=O)N([C@H]1[C@@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O)OCC3=CC=CC=C3
InChI: InChI=1S/C21H22N2O4/c1-14(24)23(26-13-15-7-5-4-6-8-15)19-17-11-16(12-22)9-10-18(17)27-21(2,3)20(19)25/h4-11,19-20,25H,13H2,1-3H3/t19-,20+/m1/s1
InChIKey: RHFUXPCCELGMFC-UXHICEINSA-N

Cross-matching ID

PubChem CID: 6918184
ChEBI ID: CHEBI:92752
CAS Number: 127408-30-4
TTD ID: D08HFA

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)

MIA Detail

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 800001561)
2	Pharmacokinetics and safety of a novel, long-acting, prodrug-type potassium channel opener, Y-27152, in healthy volunteers. J Clin Pharmacol. 1996 May;36(5):439-51.