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Compound Detail

CHEMBL5573142

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COc1ccc2c(-c3cc(OC)c(OC)c(OC)c3)nc(C(N)=O)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5573142
Phase Preclinical
Structure Type MOL
InChI Key YOFZOCOFNPKCEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
3.04
ALogP
6
HBA
1
HBD
92.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N2O5
MW 368.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
38336655 10.1021/acs.jmedchem.3c02399 A549 1
38336655 10.1021/acs.jmedchem.3c02399 DU-145 1
38336655 10.1021/acs.jmedchem.3c02399 PC-3 1
38336655 10.1021/acs.jmedchem.3c02399 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine