Details of the Drug

General Information of Drug (ID: DMKDS1C)

Drug Name
Rimcazole
Synonyms
Rimcazol; Rimcazolum; Rimcazole [INN]; BW 234U; BW-234U; Rimcazol [INN-Spanish]; Rimcazolum [INN-Latin]; Cis-9-(3-(3,5-dimethyl-1-piperazinyl)propyl)carbazole; 9-[3-(Cis-3,5-Dimethyl-1-Piperazinyl)Propyl]Carbazole Hydrochloride; 9-[3-(cis-3,5-Dimethyl-1-piperazinyl)propyl]carbazole dihydrochloride monohydrate; 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole; 9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole
Indication
Disease Entry ICD 11 Status REF
Schizophrenia 6A20 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 321.5
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C21H27N3
IUPAC Name
9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole
Canonical SMILES
C[C@@H]1CN(C[C@@H](N1)C)CCCN2C3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
InChIKey
GUDVQJXODNJRIJ-CALCHBBNSA-N
Cross-matching ID
PubChem CID
53389
ChEBI ID
CHEMBL275707
CAS Number
75859-04-0
TTD ID
D0M9GE
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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
Opioid receptor sigma 1 (OPRS1) TT5TPI6 SGMR1_HUMAN Antagonist [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Transcription factor p65 (RELA) OTUJP9CN TF65_HUMAN Drug Response [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
Opioid receptor sigma 1 (OPRS1) DTT SIGMAR1 2.77E-06 -0.12 -0.62
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.
2 The role of RelA (p65) threonine 505 phosphorylation in the regulation of cell growth, survival, and migration. Mol Biol Cell. 2011 Sep;22(17):3032-40. doi: 10.1091/mbc.E11-04-0280. Epub 2011 Jul 7.