Details of the Drug

General Information of Drug (ID: DMM5SCF)

Drug Name
ONC201
Synonyms
Onc-201; TIC10; 1616632-77-9; UNII-9U35A31JAI; 9U35A31JAI; TIC10(ONC-201); 7-Benzyl-4-(2-methylbenzyl)-1,2,6,7,8,9-hexahydroimidazo[1,2-A]pyrido[3,4-E]pyrimidin-5(4H)-one; TIC 10 active isomer; ONC201(TIC10 isomer); TIC 10; GTPL9978; SCHEMBL16227974; EX-A669; ONC 201; AOB2892; MolPort-039-137-731; HY-15615A; 3388AH; s7963; ZINC169620396; AKOS025404904; NSC 350625; CS-3564; AS-16735; AK174891; KB-335104; FT-0700231; J-690224; 1342897-86-2; 2,4,6,7,8,9-Hexahydro-4-((2-methylphenyl)methyl)-7-phenylmethyl)imidazo)(1,2-a)pyrido(3,4-e)pyrimid
Indication
Disease Entry ICD 11 Status REF
Endometrial cancer 2C76 Phase 2 [1]
Glioma 2A00.0 Phase 2 [1], [2]
Multiple myeloma 2A83 Phase 2 [1]
Neuroendocrine cancer 2B72.1 Phase 2 [1]
Recurring respiratory infection CA07-CA45 Phase 2 [1]
leukaemia 2A60-2B33 Phase 1/2 [1]
Lymphoma 2A80-2A86 Phase 1/2 [1]
Solid tumour/cancer 2A00-2F9Z Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 386.5
Topological Polar Surface Area (xlogp) 2.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C24H26N4O
IUPAC Name
11-benzyl-7-[(2-methylphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5-dien-8-one
Canonical SMILES
CC1=CC=CC=C1CN2C(=O)C3=C(CCN(C3)CC4=CC=CC=C4)N5C2=NCC5
InChI
InChI=1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10H,11-17H2,1H3
InChIKey
VLULRUCCHYVXOH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
73777259
CAS Number
1616632-77-9
TTD ID
D07XQS

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 [1]
Dopamine D3 receptor (D3R) TT4C8EA DRD3_HUMAN Antagonist [1]
Dopamine receptor (DR) TTWFZ1N NOUNIPROTAC Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Endometrial cancer
ICD Disease Classification 2C76
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) Jump to Detail Molecular Expression Atlas of This Drug

References

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2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
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19 Screening of domperidone in wastewater by high performance liquid chromatography and solid phase extraction methods. Talanta. 2006 Jan 15;68(3):928-31.
20 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3639).
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22 [The benzamides tiapride, sulpiride, and amisulpride in treatment for Tourette's syndrome]. Nervenarzt. 2007 Mar;78(3):264, 266-8, 270-1.
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