General Information of Drug (ID: DM8RIA6)

Drug Name
RGH-1756
Synonyms
NCGC00015909-01; Lopac-S-106; AC1L1JZN; Prestwick3_000443; Lopac0_001152; BSPBio_000486; BPBio1_000536; CHEBI:93632; CTK7A2978; BDBM50000687; ZINC100071375; CCG-205226; NCGC00015909-03; NCGC00162355-01; NCGC00016970-01; NCGC00015909-02; NCGC00015909-04; AB00513839; CAS-105538-73-6; BRD-K93280214-004-02-3; 6-amino-1-(3-carboxypropyl)-3-(4-methoxyphenyl)pyridazin-1-ium; 4-[6-amino-3-(4-methoxyphenyl)pyridazin-1-ium-1-yl]butanoic acid; 6-Amino-1-(3-carboxy-propyl)-3-(4-methoxy-phenyl)-pyridazin-1-ium
Indication
Disease Entry ICD 11 Status REF
Schizophrenia 6A20 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 462.6
Logarithm of the Partition Coefficient (xlogp) 5.8
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C26H30N4O2S
IUPAC Name
6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]imidazo[2,1-b][1,3]thiazole
Canonical SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCCOC3=CC=C(C=C3)C4=CN5C=CSC5=N4
InChI
InChI=1S/C26H30N4O2S/c1-31-25-7-3-2-6-24(25)29-15-13-28(14-16-29)12-4-5-18-32-22-10-8-21(9-11-22)23-20-30-17-19-33-26(30)27-23/h2-3,6-11,17,19-20H,4-5,12-16,18H2,1H3
InChIKey
XFCPMLXQURUUPM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9868983
CAS Number
207277-37-0
TTD ID
D0G2LT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D3 receptor (D3R) TT4C8EA DRD3_HUMAN Antagonist [1]
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 D3 receptor (D3R) DTT DRD3 2.84E-03 0.13 2
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.