Details of the Drug

General Information of Drug (ID: DM4W3MU)

Drug Name
CGS-18102A
Synonyms CGP-50281; CGS-18102
Indication
Disease Entry ICD 11 Status REF
Anxiety disorder 6B00-6B0Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 297.82
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C16H24ClNO2
IUPAC Name
(4aR,10bS)-10-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
Canonical SMILES
CCCN1CCC[C@@H]2[C@@H]1COC3=C2C(=CC=C3)OC.Cl
InChI
InChI=1S/C16H23NO2.ClH/c1-3-9-17-10-5-6-12-13(17)11-19-15-8-4-7-14(18-2)16(12)15;/h4,7-8,12-13H,3,5-6,9-11H2,1-2H3;1H/t12-,13+;/m1./s1
InChIKey
IIARBXRSECAIPI-KZCZEQIWSA-N
Cross-matching ID
PubChem CID
146963
CAS Number
100746-36-9
TTD ID
D0T0BS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1A receptor (HTR1A) TTSQIFT 5HT1A_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Anxiety disorder
ICD Disease Classification 6B00-6B0Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 1A receptor (HTR1A) DTT HTR1A 2.18E-01 -0.11 -0.51
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 800001927)
2 Quantitative determination of CGS 18102A, a new anxiolytic, in human plasma using capillary gas chromatography/mass spectrometry. Biomed Chromatogr. 1992 Sep-Oct;6(5):244-7.