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Compound Detail

CHEMBL4091539

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C[C@H](CN1CCOCC1)n1/c(=N\C#N)[nH]c2cc(/C=C3/c4ccc(F)cc4OCc4c(F)cccc43)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4091539
Phase Preclinical
Structure Type MOL
InChI Key UGJBOQWJBNYSSP-NZYROCMPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

527.6
MW (Da)
5.00
ALogP
6
HBA
1
HBD
78.6
PSA (Ų)
0.38
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H27F2N5O2
MW 527.58
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.96

Literature References

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

Data from ChEMBL 36 via Core Engine