Details of the Drug

General Information of Drug (ID: DMRHF97)

Drug Name
R1204
Indication
Disease Entry ICD 11 Status REF
Depression 6A70-6A7Z Discontinued in Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 162.23
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C11H14O
IUPAC Name
1-(2,4,6-trimethylphenyl)ethanone
Canonical SMILES
CC1=CC(=C(C(=C1)C)C(=O)C)C
InChI
InChI=1S/C11H14O/c1-7-5-8(2)11(10(4)12)9(3)6-7/h5-6H,1-4H3
InChIKey
XWCIICLTKWRWCI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
15461
CAS Number
1667-01-2
DrugBank ID
DB05118
TTD ID
D0ZM2S
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
GPCR unspecific (GPCR) TTXEU7H 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 800017253)
2 Clinical pipeline report, company report or official report of Roche.