Details of the Drug

General Information of Drug (ID: DMVDO93)

Drug Name
BL-1020
Synonyms BL 1020; Perphenazine 4-aminobutyrate; Butanoic acid, 4-amino-, 2-(4-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-1-piperazinyl)ethyl ester
Indication
Disease Entry ICD 11 Status REF
Schizophrenia 6A20 Phase 2 [1]
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 489.1
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
ADMET Property
Absorption
The drug is orally available []
Chemical Identifiers
Formula
C25H33ClN4O2S
IUPAC Name
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 4-aminobutanoate
Canonical SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCOC(=O)CCCN
InChI
InChI=1S/C25H33ClN4O2S/c26-20-8-9-24-22(19-20)30(21-5-1-2-6-23(21)33-24)12-4-11-28-13-15-29(16-14-28)17-18-32-25(31)7-3-10-27/h1-2,5-6,8-9,19H,3-4,7,10-18,27H2
InChIKey
BABFYCSPNDKXRI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11203271
CAS Number
751477-01-7
UNII
K1WO7H97QZ
DrugBank ID
DB05687
TTD ID
D0L6OA
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Antagonist [1]
Gamma-aminobutyric acid receptor (GAR) TTNJYV2 NOUNIPROTAC Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Schizophrenia
ICD Disease Classification 6A20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22.