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]
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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: CHEBI:94713
CAS Number: 75859-04-0
TTD ID: D0M9GE

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Potassium voltage-gated channel subfamily H member 2 (KCNH2)	OTZX881H	KCNH2_HUMAN	Gene/Protein Processing	[2]
Transcription factor p65 (RELA)	OTUJP9CN	TF65_HUMAN	Drug Response	[3]

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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
Opioid receptor sigma 1 (OPRS1)	DTT	SIGMAR1	2.77E-06	-0.12	-0.62

Molecular Expression Atlas (MEA)

MEA Detail

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	Why are most phospholipidosis inducers also hERG blockers?. Arch Toxicol. 2017 Dec;91(12):3885-3895. doi: 10.1007/s00204-017-1995-9. Epub 2017 May 27.
3	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.