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Compound Detail

CHEMBL524989

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CCC(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)n1ccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL524989
Phase Preclinical
Structure Type MOL
InChI Key PKWLGTQHLJMGCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
5.45
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.61
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17F3N2O
MW 346.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
18674917 10.1016/j.bmc.2008.07.011 Steroid 17-alpha-hydroxylase/17,20 lyase 1

Data from ChEMBL 36 via Core Engine