General Information of Drug (ID: DMOKVJD)

Drug Name
ODM-207
Synonyms
BET-IN-4; 1801503-93-4; ODM207; SCHEMBL16896828; NSC818620; NSC-818620; HY-111916; CS-0093944; COC1=C(C=C2C=C(C)C(=O)N(CC3=NC=CC=C3)C2=C1)C1=C(C)ON=C1C; 6-(3,5-Dimethylisoxazol-4-yl)-7-methoxy-3-methyl-1-(pyridin-2-ylmethyl)quinolin-2(1H)-one
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 1/2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 375.4
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C22H21N3O3
IUPAC Name
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one
Canonical SMILES
CC1=CC2=CC(=C(C=C2N(C1=O)CC3=CC=CC=N3)OC)C4=C(ON=C4C)C
InChI
InChI=1S/C22H21N3O3/c1-13-9-16-10-18(21-14(2)24-28-15(21)3)20(27-4)11-19(16)25(22(13)26)12-17-7-5-6-8-23-17/h5-11H,12H2,1-4H3
InChIKey
YVGWSVHZXWFLIT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
118224658
TTD ID
DA91HS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bromodomain and extraterminal domain protein (BET) TTE4BSY NOUNIPROTAC Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03035591) ODM-207 in Patients With Advance Solid Tumours (BETIDES). U.S. National Institutes of Health.
2 First-in-human Phase 1 open label study of the BET inhibitor ODM-207 in patients with selected solid tumours. Br J Cancer. 2020 Dec;123(12):1730-1736.