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Compound Detail

CHEMBL4468060

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O=C(c1ccc(O)cc1)c1ccc2[nH]cc(C(=O)c3ccc(O)cc3)c2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4468060
Phase Preclinical
Structure Type MOL
InChI Key PBAPYBDUTOURQZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
3.75
ALogP
5
HBA
4
HBD
110.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15NO5
MW 373.36
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness 0.14

Literature References

PubMed DOI Target Context # Activities
31302589 10.1016/j.ejmech.2019.06.066 NCI-H460 2
31302589 10.1016/j.ejmech.2019.06.066 Unchecked 2

Data from ChEMBL 36 via Core Engine