Details of the Drug

General Information of Drug (ID: DM6TJFU)

Drug Name
CINANSERIN
Synonyms
CINANSERIN; Cinanserin [INN]; 1166-34-3; Cinanserine [INN-French]; Cinanserinum [INN-Latin]; UNII-KI6J9OY7A3; Cinanserina [INN-Spanish]; KI6J9OY7A3; CHEMBL18786; NCGC00024599-02; 2-Propenamide, N-(2-((3-(dimethylamino)propyl)thio)phenyl)-3-phenyl-; DSSTox_RID_81031; DSSTox_CID_25653; DSSTox_GSID_45653; Cinanserinum; Cinanserina; Cinanserine; CAS-1166-34-3; Cinanserin Monohydrochloride; Cinaserin; SQ 16167; SQ-16,167; SQ-10,643; AC1NUDS4; Biomol-NT_000092; 2'-((3-Dimethylaminopropyl)thio)cinnamanilide; SCHEMBL571561; BPBio1_001097
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 340.5
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H24N2OS
IUPAC Name
(E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide
Canonical SMILES
CN(C)CCCSC1=CC=CC=C1NC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+
InChIKey
RSUVYMGADVXGOU-BUHFOSPRSA-N
Cross-matching ID
PubChem CID
5475158
ChEBI ID
CHEMBL18786
CAS Number
1166-34-3
TTD ID
D0B3WX
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 2A receptor (HTR2A) DTT HTR2A 1.68E-01 -0.3 -0.14
5-HT 2A receptor (HTR2A) DTT HTR2A 5.59E-01 0.15 0.21
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Central serotonin receptors as targets for drug research. J Med Chem. 1987 Jan;30(1):1-12.