Details of the Drug

General Information of Drug (ID: DM7KR4C)

Drug Name

YM-934

Synonyms

YM-934; YM 934; UNII-Z0E489238B; 136544-11-1; 2-(3,4-Dihydro-2,2-dimethyl-6-nitro-2H-1,4-benzoxazin-4-yl)pyridine N-oxide; Z0E489238B; 2H-1,4-Benzoxazine, 3,4-dihydro-2,2-dimethyl-6-nitro-4-(2-pyridinyl)-, N-oxide; CHEMBL93539; SCHEMBL4260665; AC1L305E; DTXSID90159834; GOTJEXSHEQBBSV-UHFFFAOYSA-N; LS-41736

Indication

Disease Entry	ICD 11	Status	REF
Angina pectoris	BA40	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

301.3

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C15H15N3O4
IUPAC Name: 2,2-dimethyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazine
Canonical SMILES: CC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=[N+]3[O-])C
InChI: InChI=1S/C15H15N3O4/c1-15(2)10-16(14-5-3-4-8-17(14)19)12-9-11(18(20)21)6-7-13(12)22-15/h3-9H,10H2,1-2H3
InChIKey: GOTJEXSHEQBBSV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 131974
CAS Number: 136544-11-1
TTD ID: D05RZW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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

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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 800001721)
2	Potassium channel opener, YM 934, inhibits neurogenic plasma leakage in guinea pig airways. Am J Respir Crit Care Med. 1994 Nov;150(5 Pt 1):1379-83.