Details of the Drug

General Information of Drug (ID: DM1MBG9)

Drug Name
CR-3124
Indication
Disease Entry ICD 11 Status REF
Substance use disorder 6C4Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 306.4
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C20H22N2O
IUPAC Name
2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3H-benzo[g]isoindol-1-one
Canonical SMILES
CN1[C@@H]2CC[C@H]1CC(C2)N3CC4=C(C3=O)C5=CC=CC=C5C=C4
InChI
InChI=1S/C20H22N2O/c1-21-15-8-9-16(21)11-17(10-15)22-12-14-7-6-13-4-2-3-5-18(13)19(14)20(22)23/h2-7,15-17H,8-12H2,1H3/t15-,16+,17?
InChIKey
RCJGTDKFZCRBAH-SJPCQFCGSA-N
Cross-matching ID
PubChem CID
11738327
CAS Number
263896-41-9
TTD ID
D01JHN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 3 receptor (5HT3R) TTNXLKE NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction 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 800024202)
2 Physicochemical and biopharmaceutical characterization of endo-2-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-2,3-dihydro-1H-benz[e]isoindol-1-one (CR312... J Pharm Sci. 2006 Dec;95(12):2706-21.