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Compound Detail

CHEMBL4750077

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COC(=O)/C=C/c1cc2c(cc1O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4750077
Phase Preclinical
Structure Type MOL
InChI Key RMVZSQZXNJRJFW-KOEDOTQGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
3.39
ALogP
7
HBA
2
HBD
103.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27NO7
MW 441.48
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 1.01

Literature References

PubMed DOI Target Context # Activities
32827941 10.1016/j.ejmech.2020.112724 COLO357 1
32827941 10.1016/j.ejmech.2020.112724 SW-620 1
32827941 10.1016/j.ejmech.2020.112724 HEK293 1
32827941 10.1016/j.ejmech.2020.112724 Raji 1

Data from ChEMBL 36 via Core Engine