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Compound Detail

CHEMBL4459711

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COc1ccc(C(=O)Nc2ccc3cc(C(=O)NC4CC4)ccc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4459711
Phase Preclinical
Structure Type MOL
InChI Key URFCZGLVXGQNOI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
3.99
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N2O3
MW 360.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
31381325 10.1021/acs.jmedchem.9b00353 HCT-116 1
31381325 10.1021/acs.jmedchem.9b00353 MCF7 1
31381325 10.1021/acs.jmedchem.9b00353 A549 1
31381325 10.1021/acs.jmedchem.9b00353 Calu-6 1

Data from ChEMBL 36 via Core Engine