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]
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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

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 Interaction Atlas (MIA)

MIA Detail

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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)

MEA Detail

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.