General Information of the Compound
Compound ID
CP0519264
Compound Name
DORDAVIPRONE
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Synonyms
1342897-86-2
1616632-77-9
2,4,6,7,8,9-Hexahydro-4-((2-methylphenyl)methyl)-7-phenylmethyl)imidazo)(1,2-a)pyrido(3,4-e)pyrimid
3388AH
7-Benzyl-4-(2-methylbenzyl)-1,2,6,7,8,9-hexahydroimidazo[1,2-A]pyrido[3,4-E]pyrimidin-5(4H)-one
9U35A31JAI
AK174891
AKOS025404904
AOB2892
AS-16735
CS-3564
EX-A669
FT-0700231
GTPL9978
HY-15615A
J-690224
KB-335104
MolPort-039-137-731
NSC 350625
ONC 201
ONC201
ONC201(TIC10 isomer)
Onc-201
SCHEMBL16227974
TIC 10
TIC 10 active isomer
TIC10
TIC10(ONC-201)
UNII-9U35A31JAI
ZINC169620396
s7963
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Structure
Formula
C24H26N4O
Molecular Weight
386.499
Canonical SMILES
Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O
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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
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InChIKey
VLULRUCCHYVXOH-UHFFFAOYSA-N
CAS
1616632-77-9
Physicochemical Property
logP
3.16882
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
39.15
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
29

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 73777259
ChEMBL ID
CHEMBL4297310
DrugBank ID
DB14844
Clinical Information about the Compound
Drug 1 ( ONC201 )
Drug Name ONC201
Company Oncoceutics Philadelphia, PA
Indication
Glioma
Phase 2
Endometrial cancer
Phase 2
Multiple myeloma
Phase 2
Neuroendocrine cancer
Phase 2
Recurring respiratory infection
Phase 2
leukaemia
Phase 1/2
Lymphoma
Phase 1/2
Solid tumour/cancer
Phase 1
Target(s)
Dopamine D3 receptor (D3R)
Antagonist
Dopamine D2 receptor (D2R)
Antagonist