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Compound Detail

CHEMBL1254515

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COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4ccn(C)c34)cc2Cl)cc1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL1254515
Phase Preclinical
Structure Type MOL
InChI Key UJGMGCAPRZKCKG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

491.9
MW (Da)
6.09
ALogP
6
HBA
2
HBD
90.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17ClF3N5O3
MW 491.86
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.48

Activity Summary

IC50 1 meas. best 8.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 8.03 8.03 9.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20833551 10.1016/j.bmc.2010.08.042 Vascular endothelial growth factor receptor 2 1
20833551 10.1016/j.bmc.2010.08.042 Fibroblast growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine