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Compound Detail

CHEMBL296540

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COc1cc(OC)cc(-c2cc3cnc(N)nc3n(C)c2=O)c1

Basic Information

ChEMBL ID CHEMBL296540
Phase Preclinical
Structure Type MOL
InChI Key HUTNEDYZVCYOIK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
1.59
ALogP
7
HBA
1
HBD
92.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N4O3
MW 312.33
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.44

Activity Summary

IC50 2 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor
CHEMBL2095217
IC50 6.9 6.9 126.0 1
Platelet-derived growth factor receptor
CHEMBL2096980
IC50 4.37 4.37 43100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17964795 10.1016/j.bmc.2007.10.024 Unchecked 2
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
17964795 10.1016/j.bmc.2007.10.024 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine