Details of the Drug

General Information of Drug (ID: DMP8ESD)

Drug Name
Zicronapine
Synonyms
Zicronapine; 170381-16-5; UNII-QZV11V7G6A; QZV11V7G6A; Zicronapine [USAN:INN]; Zicronapine (USAN/INN); SCHEMBL904402; CHEMBL3039528; DTXSID30168849; Lu31-130; AKOS032946690; DB12188; 4-((1R,3S)-6-Chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine; LU-31130; D10329; Piperazine, 4-((1R,3S)-6-chloro-2,3-dihydro-3-phenyl-1H-inden-1-yl)-1,2,2-trimethyl-
Indication
Disease Entry ICD 11 Status REF
Schizophrenia 6A20 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 354.9
Logarithm of the Partition Coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C22H27ClN2
IUPAC Name
4-[(1R,3S)-6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine
Canonical SMILES
CC1(CN(CCN1C)[C@@H]2C[C@H](C3=C2C=C(C=C3)Cl)C4=CC=CC=C4)C
InChI
InChI=1S/C22H27ClN2/c1-22(2)15-25(12-11-24(22)3)21-14-19(16-7-5-4-6-8-16)18-10-9-17(23)13-20(18)21/h4-10,13,19,21H,11-12,14-15H2,1-3H3/t19-,21+/m0/s1
InChIKey
BYPMJBXPNZMNQD-PZJWPPBQSA-N
Cross-matching ID
PubChem CID
11465618
ChEBI ID
CHEMBL3039528
CAS Number
170381-16-5
UNII
QZV11V7G6A
DrugBank ID
DB12188
TTD ID
D02YVM
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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
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_HUMAN Modulator [2]
Dopamine D1 receptor (D1R) TTZFYLI DRD1_HUMAN Modulator [2]
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Modulator [2]
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 D1 receptor (D1R) DTT DRD1 8.99E-01 -0.06 -0.3
Dopamine D2 receptor (D2R) DTT DRD2 2.20E-03 -0.51 -1.35
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01295372) Safety and Efficacy of Zicronapine in Patients With Schizophrenia. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of Lundbeck.