Details of the Drug

General Information of Drug (ID: DMM1Y8F)

Drug Name
NGD 94-1
Synonyms
2-[4-[(2-Phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine; Ngd 94-1; 178928-68-2; UNII-DO9M06BFRJ; Ngd-94-1; DO9M06BFRJ; CHEMBL103772; 179333-18-7; 2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine; 2-[4-[(2-Phenyl-1H-imidazol-5-yl)methyl]-1-piperazinyl]-pyrimidine; 2-[4-[(2-phenyl-3H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine; [3H]NGD941; [3H]-NGD941; [3H]NGD 94-1; AC1L4NQX; ngd94-1; 2-{4-[(2-phenyl-1h-imidazol-4-yl)methyl]piperazin-1-yl}pyrimidine; 2-Phenyl-4(5)-((4-(2-pyrimidinyl)-piperazin-1-yl)methyl)imidazole dimaleate; AC1Q4X5G; GTPL979; SCHEMBL6901339; Ngd-94-1; Diphenylbutylpiperidines pimozide
Indication
Disease Entry ICD 11 Status REF
Schizophrenia 6A20 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 320.4
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H20N6
IUPAC Name
2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
Canonical SMILES
C1CN(CCN1CC2=CN=C(N2)C3=CC=CC=C3)C4=NC=CC=N4
InChI
InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)
InChIKey
OTVQCHUIPJYASM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
188942
ChEBI ID
CHEMBL103772
CAS Number
178928-68-2
TTD ID
D0L3JI
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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 D4 receptor (D4R) TTE0A2F DRD4_HUMAN Antagonist [2]
Voltage-gated calcium channel alpha Cav3.1 (CACNA1G) TT729IR CAC1G_HUMAN Blocker [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 979).
2 The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22.
3 Differential inhibition of T-type calcium channels by neuroleptics. J Neurosci. 2002 Jan 15;22(2):396-403.