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Compound Detail

CHEMBL4588402

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NCC[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4588402
Phase Preclinical
Structure Type MOL
InChI Key KQHPDWUZVRUQRE-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
5
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
1.91
ALogP
5
HBA
2
HBD
93.9
PSA (Ų)
0.86
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 C19H18FN3O4
MW 371.37
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.93

Pharmacokinetic Data

Parameter Value Units Species
CL 12.0 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