Details of the Drug

General Information of Drug (ID: DMMSWJ3)

Drug Name
U-93385
Synonyms (-)-cis-3-Propyl-2,3,3a(R),4,5,9b-hexahydro-1H-benz[e]indole-9-carboxamide
Indication
Disease Entry ICD 11 Status REF
Anxiety disorder 6B00-6B0Z Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 258.36
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H22N2O
IUPAC Name
(3aR,9bS)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole-9-carboxamide
Canonical SMILES
CCCN1CC[C@@H]2[C@H]1CCC3=C2C(=CC=C3)C(=O)N
InChI
InChI=1S/C16H22N2O/c1-2-9-18-10-8-12-14(18)7-6-11-4-3-5-13(15(11)12)16(17)19/h3-5,12,14H,2,6-10H2,1H3,(H2,17,19)/t12-,14-/m1/s1
InChIKey
JSZBRMZCAIJCKB-TZMCWYRMSA-N
Cross-matching ID
PubChem CID
132792
CAS Number
147145-16-2
TTD ID
D0G5ZL

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 Agonist [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 800002172)
2 Tolerance development to the vagal-mediated bradycardia produced by 5-HT1A receptor agonists. J Pharmacol Exp Ther. 1994 Nov;271(2):776-81.