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]
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]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 386.5
  Logarithm of the Partition Coefficient (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
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

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 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

References

• [1] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)