General Information of the Compound
Compound ID
CP0231582
Compound Name
Cpi-1205
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Synonyms
(R)-N-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide
1621862-70-1
455J2479FY
AKOS030628484
CPI 1205
CPI-1205
CPI1205
CS-7648
EX-A1068
GTPL9115
HPODOLXTMDHLLC-QGZVFWFLSA-N
HY-100021
J3.556.402K
KS-000006BA
MolPort-044-560-382
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-
SCHEMBL17329268
UNII-455J2479FY
ZINC220982768
compound 13 [PMID: 27739677]
s8353
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Structure
Formula
C27H33F3N4O3
Molecular Weight
518.58
Canonical SMILES
COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12
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InChI
InChI=1S/C27H33F3N4O3/c1-16-13-23(37-4)21(25(35)32-16)14-31-26(36)24-18(3)34(22-8-6-5-7-20(22)24)17(2)19-9-11-33(12-10-19)15-27(28,29)30/h5-8,13,17,19H,9-12,14-15H2,1-4H3,(H,31,36)(H,32,35)/t17-/m1/s1
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InChIKey
HPODOLXTMDHLLC-QGZVFWFLSA-N
CAS
1621862-70-1
Physicochemical Property
logP
4.72034
Rotatable Bonds
7
Heavy Atom Count
37
Polar Areas
79.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
37

"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: 78320408
ChEMBL ID
CHEMBL4297463
DrugBank ID
DB14581
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03003, Histone-lysine N-methyltransferase EZH2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 28 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 32 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.2 nM
2 IC50 = 3.1 nM
3 IC50 = 22 nM
4 IC50 = 31 nM
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000180 Karpas-422
 Cell Line Info 
Homo sapiens (Human)  1
1
GI50 = 436 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( CPI-1205 )
Drug Name CPI-1205
Company Constellation Pharmaceuticals Cambridge, MA
Indication
Prostate cancer
Phase 1/2
B-cell lymphoma
Phase 1
Target(s)
Enhancer of zeste homolog 2 (EZH2)
 Target Info 
Inhibitor