Details of the Drug

General Information of Drug (ID: DM5VY23)

Drug Name

ONC206

Synonyms

UNII-OW6LM47PNK; OW6LM47PNK; 1638178-87-6; 7-benzyl-4-(2,4-difluorobenzyl)-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one; SCHEMBL20464679; ONC-206; NSC783746; s6853; NSC-783746; HY-135147; CS-0109614; 4-((2,4-Difluorophenyl)methyl)-2,4,6,7,8,9-hexahydro-7-(phenylmethyl)imidazo(1,2-a)pyrido(3,4-E)pyrimidin-5(1H)-one; 7-Benzyl-4-(2,4-difluorobenzyl)-1,2,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one

Indication

Disease Entry	ICD 11	Status	REF
Brain and central nervous system tumour	2A00.11	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

408.4

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C23H22F2N4O
IUPAC Name: 11-benzyl-7-[(2,4-difluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5-dien-8-one
Canonical SMILES: C1CN(CC2=C1N3CCN=C3N(C2=O)CC4=C(C=C(C=C4)F)F)CC5=CC=CC=C5
InChI: InChI=1S/C23H22F2N4O/c24-18-7-6-17(20(25)12-18)14-29-22(30)19-15-27(13-16-4-2-1-3-5-16)10-8-21(19)28-11-9-26-23(28)29/h1-7,12H,8-11,13-15H2
InChIKey: ITMGVSSHWMTJRR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 135297777
CAS Number: 1638178-87-6
TTD ID: D6P9OU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine D2 receptor (D2R)	TTEX248	DRD2_HUMAN	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Brain and central nervous system tumour

ICD Disease Classification

2A00.11

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dopamine D2 receptor (D2R)	DTT	DRD2	2.50E-02	-0.08	-0.49

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT04541082) Phase I Study of Oral ONC206 in Recurrent and Rare Primary Central Nervous System Neoplasms. U.S. National Institutes of Health.
2	ONC206, an Imipridone Derivative, Induces Cell Death Through Activation of the Integrated Stress Response in Serous Endometrial Cancer In Vitro. Front Oncol. 2020 Oct 20;10:577141.