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Compound Detail

CHEMBL257753

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COc1c(-c2nnc(-c3ccccc3C(F)(F)F)n2C)ccc2ccc(Cl)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL257753
Phase Preclinical
Structure Type MOL
InChI Key QBIPYYXGZDQCLC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.8
MW (Da)
5.98
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15ClF3N3O
MW 417.82
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
18434143 10.1016/j.bmcl.2008.04.010 11-beta-hydroxysteroid dehydrogenase 1 2
18434143 10.1016/j.bmcl.2008.04.010 Mus musculus 2

Data from ChEMBL 36 via Core Engine