Details of the Drug

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)

MIA Detail

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.