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Compound Detail

CHEMBL187407

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O=C(COc1ccccc1)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL187407
Phase Preclinical
Structure Type MOL
InChI Key KMBNVVBGWONPFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

431.9
MW (Da)
4.95
ALogP
6
HBA
2
HBD
89.0
PSA (Ų)
0.43
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 C23H18ClN5O2
MW 431.88
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.85

Literature References

PubMed DOI Target Context # Activities
16033269 10.1021/jm058205b Unchecked 1
16033269 10.1021/jm058205b Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine