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Compound Detail

CHEMBL4463126

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O=C1COc2ccc(C(=O)N3c4ccc(Cl)cc4C[C@@H]3CCO)cc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4463126
Phase Preclinical
Structure Type MOL
InChI Key RNFNFRANQNBNSW-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
5
Publications
0
Known Names

Molecular Properties

372.8
MW (Da)
2.62
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.87
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 C19H17ClN2O4
MW 372.81
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.06

Pharmacokinetic Data

Parameter Value Units Species
CL 40.0 mL.min-1.g-1 Homo sapiens

Literature References

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

Data from ChEMBL 36 via Core Engine