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Compound Detail

CHEMBL2348990

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Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2Cl)n(C)n1

Basic Information

ChEMBL ID CHEMBL2348990
Phase Preclinical
Structure Type MOL
InChI Key DBUIDELURWLCSA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

465.9
MW (Da)
3.82
ALogP
8
HBA
2
HBD
115.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20ClN7O3
MW 465.90
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -2.35

Activity Summary

IC50 2 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 8.89 8.89 1.3 1
HUVEC
CHEMBL613979
IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23498918 10.1016/j.bmc.2013.01.074 HUVEC 1
23498918 10.1016/j.bmc.2013.01.074 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine