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Compound Detail

CHEMBL4078561

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NC(=O)/N=c1/[nH]c2cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc2n1[C@H]1C[C@@H]2COCCN2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4078561
Phase Preclinical
Structure Type MOL
InChI Key SRHPFVKOJSFHKR-ORCGFQNDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

525.6
MW (Da)
4.21
ALogP
5
HBA
2
HBD
97.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28FN5O3
MW 525.58
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
28051871 10.1021/acs.jmedchem.6b01065 Mineralocorticoid receptor 1

Data from ChEMBL 36 via Core Engine