Details of the Drug

General Information of Drug (ID: DMZGWQA)

Drug Name

DS-AH-14

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	Investigative	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

363.4

Logarithm of the Partition Coefficient (xlogp)

0.7

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C20H21N5O2
IUPAC Name: 11-(1-methyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Canonical SMILES: CN1CCC2C1CCN2C(=O)N3C4=CC=CC=C4C(=O)NC5=C3N=CC=C5
InChI: InChI=1S/C20H21N5O2/c1-23-11-8-17-16(23)9-12-24(17)20(27)25-15-7-3-2-5-13(15)19(26)22-14-6-4-10-21-18(14)25/h2-7,10,16-17H,8-9,11-12H2,1H3,(H,22,26)
InChIKey: QBUPWEMXZYDTRC-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor (CHRM)	TTOXS3C	NOUNIPROTAC	Modulator	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	US patent application no. 5,446,057, Substituted tetrahydropyridine and piperidine carboxylic acids as muscarinic antagonists.