Details of the Drug

General Information of Drug (ID: DMKHZQW)

Drug Name

Pitrazepine

Synonyms

Pitrazepin; PITRAZEPINE; 90685-01-1; AC1L3SS8; 3-(Piperazinyl)-1-9H-dibenz(c,f)triazolo(4,5-a)azepin; CHEBI:34926; 9H-Dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine, 3-(1-piperazinyl)-; CHEMBL59190; SCHEMBL5888842; DTXSID90238239; LS-182874

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

317.4

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H19N5
IUPAC Name: 3-piperazin-1-yl-2,4,5-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene
Canonical SMILES: C1CN(CCN1)C2=NN=C3N2C4=CC=CC=C4CC5=CC=CC=C53
InChI: InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2
InChIKey: GXFWOMYQHNODFA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 146222
ChEBI ID: CHEBI:34926
CAS Number: 90685-01-1
TTD ID: D00EPL

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	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Structure and molecular modeling of GABAA receptor antagonists. J Med Chem. 1992 May 29;35(11):1969-77.