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Compound Detail

CHEMBL255902

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Cc1c(OC[C@@H](C)O)cn2ncnc(Oc3cnc4[nH]ccc4c3F)c12

Basic Information

ChEMBL ID CHEMBL255902
Phase Preclinical
Structure Type MOL
InChI Key ACPWZRGLIIWDAZ-SECBINFHSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
2.61
ALogP
7
HBA
2
HBD
97.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16FN5O3
MW 357.35
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.83

Activity Summary

IC50 1 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.57 7.57 27.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 3966.59 ng.hr.mL-1 Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 27.0 nM 7.57 Inhibition of human VEGFR2 18395443

Literature References

PubMed DOI Target Context # Activities
18395443 10.1016/j.bmcl.2008.03.057 Vascular endothelial growth factor receptor 2 1
18395443 10.1016/j.bmcl.2008.03.057 Mus musculus 1

Data from ChEMBL 36 via Core Engine