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Compound Detail

CHEMBL3891395

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O=C(Nc1ccc(Oc2ccnc(C(=O)NO)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3891395
Phase Preclinical
Structure Type MOL
InChI Key TUIHWOSIFFQEJN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.8
MW (Da)
5.31
ALogP
5
HBA
4
HBD
112.6
PSA (Ų)
0.30
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 C20H14ClF3N4O4
MW 466.80
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.39

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 1000.0 nM 6.0 Inhibition of N-terminal GST-His6-thrombin cleavage site-fused human VEGFR2 (Asp... -

Data from ChEMBL 36 via Core Engine