Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL299194

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL299194
Phase Preclinical
Structure Type MOL
InChI Key NZUXTCRYWPXTJA-UHFFFAOYSA-N
10
Targets
14
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

461.4
MW (Da)
3.35
ALogP
7
HBA
1
HBD
66.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26Cl2N6O
MW 461.40
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.23

Activity Summary

IC50 14 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 6.82 6.82 150.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
 IC50 6.82 6.72 150.0 2
Fibroblast growth factor receptor
CHEMBL2095217
 IC50 6.46 6.46 348.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 6.42 6.42 380.0 2
HCT-8
CHEMBL613510
 IC50 5.6 5.6 2500.0 1
Platelet-derived growth factor receptor
CHEMBL2096980
 IC50 5.57 5.57 2700.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
 IC50 5.55 5.55 2800.0 2
SW-620
CHEMBL612262
 IC50 5.12 5.12 7500.0 1
Epidermal growth factor receptor
CHEMBL203
 IC50 5.06 5.06 8700.0 2
HT-29
CHEMBL384
 IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proto-oncogene tyrosine-protein kinase Src IC50 = 150.0 nM 6.82 Inhibition of avian c-Src tyrosine kinase 9703473
Proto-oncogene tyrosine-protein kinase Src IC50 = 150.0 nM 6.82 Inhibitory activity against avian c-Src tyrosine kinase was determined. 10956222
Proto-oncogene tyrosine-protein kinase Src IC50 = 237.0 nM 6.62 Inhibition of chicken c-Src tyrosine kinase 9599227
Fibroblast growth factor receptor IC50 = 348.0 nM 6.46 Inhibitory concentration of compound against human fibroblast growth factor rece... 9599227
Fibroblast growth factor receptor 1 IC50 = 380.0 nM 6.42 Inhibitory concentration evaluated against fibroblast growth factor receptor 1. 9703473
Fibroblast growth factor receptor 1 IC50 = 380.0 nM 6.42 Inhibitory activity against fibroblast growth factor receptor 1 10956222
HCT-8 IC50 = 2500.0 nM 5.6 Inhibitory activity against HCT-8 human colon adenocarcinoma cells was determine... 10956222
Platelet-derived growth factor receptor IC50 = 2700.0 nM 5.57 Inhibitory concentration of compound against mouse Platelet-derived growth facto... 9599227
Platelet-derived growth factor receptor beta IC50 = 2800.0 nM 5.55 Inhibitory concentration was evaluated against Platelet-derived growth factor re... 9703473
Platelet-derived growth factor receptor beta IC50 = 2800.0 nM 5.55 Inhibitory activity against mouse PDGF beta receptor tyrosine kinase 10956222
SW-620 IC50 = 7500.0 nM 5.12 Inhibitory activity against SW-620 human colon adenocarcinoma cells was determin... 10956222
Epidermal growth factor receptor IC50 = 8700.0 nM 5.06 Inhibitory concentration was evaluated against epidermal growth factor receptor ... 9703473
Epidermal growth factor receptor IC50 = 8700.0 nM 5.06 Inhibition of human epidermal growth factor receptor 9599227
HT-29 IC50 = 15000.0 nM 4.82 Inhibitory activity against HT-29 human colon adenocarcinoma cells was determine... 10956222

Literature References

PubMed DOI Target Context # Activities
9703473 10.1021/jm9802259 Platelet-derived growth factor receptor beta 1
9703473 10.1021/jm9802259 Fibroblast growth factor receptor 1 1
9703473 10.1021/jm9802259 Proto-oncogene tyrosine-protein kinase Src 1
9703473 10.1021/jm9802259 Epidermal growth factor receptor 1
10956222 10.1021/jm000148t Proto-oncogene tyrosine-protein kinase Src 1
10956222 10.1021/jm000148t Platelet-derived growth factor receptor beta 1
10956222 10.1021/jm000148t Fibroblast growth factor receptor 1 1
10956222 10.1021/jm000148t HCT-8 1
10956222 10.1021/jm000148t SW-620 1
10956222 10.1021/jm000148t HT-29 1
9599227 10.1021/jm970634p Platelet-derived growth factor receptor 1
9599227 10.1021/jm970634p Fibroblast growth factor receptor 1
9599227 10.1021/jm970634p Proto-oncogene tyrosine-protein kinase Src 1
9599227 10.1021/jm970634p Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine