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
CAS Number: 170381-16-5
UNII: QZV11V7G6A
DrugBank ID: DB12188
TTD ID: D02YVM

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)

MIA Detail

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)

MEA Detail

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.