Details of the Drug

General Information of Drug (ID: DMQ8ACY)

Drug Name
DCCCyB
Synonyms
DCCCyB; CHEMBL2146721; 916159-99-4; Benzamide,2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-[(cyclopropylmethyl)sulfonyl]cyclohexyl]methyl]-; SCHEMBL678963; ZINC34807040; BDBM50391757; KB-74916; J3.560.315H
Indication
Disease Entry ICD 11 Status REF
Schizophrenia 6A20 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 458.4
Logarithm of the Partition Coefficient (xlogp) 5.4
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C22H29Cl2NO3S
IUPAC Name
2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]benzamide
Canonical SMILES
C1CC1CC2(CCC(CC2)S(=O)(=O)CC3CC3)CNC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H29Cl2NO3S/c23-17-5-6-19(20(24)11-17)21(26)25-14-22(12-15-1-2-15)9-7-18(8-10-22)29(27,28)13-16-3-4-16/h5-6,11,15-16,18H,1-4,7-10,12-14H2,(H,25,26)
InChIKey
PSIMLOLEQCVVJV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
15951941
TTD ID
D0R8HY
VARIDT ID
DR01153
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glycine transporter GlyT-1 (SLC6A9) TTHJTF7 SC6A9_HUMAN Modulator [2]
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Molecular Expression Atlas of This Drug

ICD Disease Classification 06 Mental, behavioural or neurodevelopmental disorder
Disease Class ICD-11: 6A20 Schizophrenia
The Studied Tissue Pre-frontal cortex
The Studied Disease Schizophrenia [ICD-11:6A20]
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glycine transporter GlyT-1 (SLC6A9) DTT SLC6A9 4.94E-01 -0.09 -0.34
Glycine transporter GlyT-1 (SLC6A9) DTT SLC6A9 1.64E-01 -0.03 -0.17
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800029447)
2 Identification of an Orally Bioavailable, Potent, and Selective Inhibitor of GlyT1. ACS Med Chem Lett. 2010 October 14; 1(7): 350-354.