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Compound Detail

CHEMBL3900967

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C[C@@H](Nc1ncnc2[nH]c(-c3ccc(OCC(=O)NO)cc3)cc12)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3900967
Phase Preclinical
Structure Type MOL
InChI Key RRWPCUPACFSZEW-CQSZACIVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
3.68
ALogP
6
HBA
4
HBD
112.2
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N5O3
MW 403.44
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.97

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