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Compound Detail

CHEMBL414402

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COc1cccc2cc(C(=O)c3cc4ccccc4[nH]3)[nH]c12

Basic Information

ChEMBL ID CHEMBL414402
Phase Preclinical
Structure Type MOL
InChI Key OATAATAPIWYBRK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
3.89
ALogP
2
HBA
2
HBD
57.9
PSA (Ų)
0.56
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 C18H14N2O2
MW 290.32
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
11855980 10.1021/jm010988n Platelet-derived growth factor receptor 1
34864496 10.1016/j.bmc.2021.116534 Unchecked 1

Data from ChEMBL 36 via Core Engine