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Compound Detail

CHEMBL151418

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COc1cc2ncnc(Nc3ccc(I)cc3Cl)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL151418
Phase Preclinical
Structure Type MOL
InChI Key JFYMXKZGOAIKRE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.7
MW (Da)
4.65
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13ClIN3O2
MW 441.66
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
10639280 10.1021/jm990345w Vascular endothelial growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine