Details of the Drug

General Information of Drug (ID: DMTMZJ4)

Drug Name

U-90042

Synonyms

U 90042; 134516-99-7; U90042; Diimidazo[1,5-a:1',2'-c]quinazoline,11-chloro-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-; ACMC-20ejs3; SCHEMBL7326473; CTK4B9224; DTXSID40158771; MolPort-023-276-561; ZINC34033310; AKOS024457266; NCGC00378706-01; B7164; J-006546; 11-Chloro-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydrodiimidazo[1,5-a:1',2'-c]quinazoline

Indication

Disease Entry	ICD 11	Status	REF
Anxiety disorder	6B00-6B0Z	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

352.8

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C17H13ClN6O
IUPAC Name: 3-(14-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,10,13,15-hexaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole
Canonical SMILES: C1CC1C2=NC(=NO2)C3=C4N5CCN=C5C6=C(N4C=N3)C=CC(=C6)Cl
InChI: InChI=1S/C17H13ClN6O/c18-10-3-4-12-11(7-10)15-19-5-6-23(15)17-13(20-8-24(12)17)14-21-16(25-22-14)9-1-2-9/h3-4,7-9H,1-2,5-6H2
InChIKey: CLPSAAPUJUVQPP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9928470
CAS Number: 134516-99-7
TTD ID: D08BCU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Modulator	[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 800001470)
2	U-90042, a sedative/hypnotic compound that interacts differentially with the GABAA receptor subtypes. J Pharmacol Exp Ther. 1995 Nov;275(2):761-7.