General Information of the Compound
| Compound ID |
CP0424289
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4536443
Show/Hide
|
||||||||||||||||||
| Formula |
C24H31N5O
|
||||||||||||||||||
| Molecular Weight |
405.546
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCN(C)Cc1ccc(cc1)-c1[nH]c2c(cnn2c(=O)c1C(C)C)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31N5O/c1-5-6-7-8-13-28(4)16-18-9-11-19(12-10-18)22-21(17(2)3)24(30)29-23(27-22)20(14-25)15-26-29/h9-12,15,17,27H,5-8,13,16H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HJWSLDFYCQJXLZ-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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: PT02548, Histone lysine demethylase PHF8
Protein ID: PT02237, Lysine-specific demethylase 2A
Protein ID: PT02613, Lysine-specific demethylase 5A
Protein ID: PT03382, Lysine-specific demethylase 5B
Protein ID: PT03543, Lysine-specific demethylase 5C
Protein ID: PT03383, Lysine-specific demethylase 6B
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 40000 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|