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Compound Detail

CHEMBL381997

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COc1ccc2[nH]c(C(=O)c3cc4cccc(Cl)c4[nH]3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL381997
Phase Preclinical
Structure Type MOL
InChI Key MPXKBDLMPUHSQQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.8
MW (Da)
4.54
ALogP
2
HBA
2
HBD
57.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13ClN2O2
MW 324.77
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
16722630 10.1021/jm058033i Receptor-type tyrosine-protein kinase FLT3 1
16722630 10.1021/jm058033i Platelet-derived growth factor receptor 1

Data from ChEMBL 36 via Core Engine