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Compound Detail

CHEMBL4067668

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CN1C[C@H](O)[C@@H](n2/c(=N\C#N)[nH]c3cc(/C=C4\c5ccccc5COc5cc(F)ccc54)ccc32)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4067668
Phase Preclinical
Structure Type MOL
InChI Key FMRCXWHCSOZFKE-WADMIHMQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.5
MW (Da)
3.82
ALogP
6
HBA
2
HBD
89.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H24FN5O2
MW 481.53
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.32

Literature References

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

Data from ChEMBL 36 via Core Engine