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Compound Detail

CHEMBL4585636

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CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2c(c1)NC(=O)OC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4585636
Phase Preclinical
Structure Type MOL
InChI Key MFJQMMMVDIDMNE-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
2.43
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18FN3O5
MW 399.38
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
30596500 10.1021/acs.jmedchem.8b01523 Mineralocorticoid receptor 2
30596500 10.1021/acs.jmedchem.8b01523 No relevant target 1
30596500 10.1021/acs.jmedchem.8b01523 Glucocorticoid receptor 1
30596500 10.1021/acs.jmedchem.8b01523 ADMET 1

Data from ChEMBL 36 via Core Engine