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

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.