Details of the Drug

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