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Compound Detail

CHEMBL4072728

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O=C(c1cccnc1)N1CCc2c(sc3ccc(F)cc23)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4072728
Phase Preclinical
Structure Type MOL
InChI Key OBKIQRBRIIABHE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
3.63
ALogP
3
HBA
0
HBD
33.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13FN2OS
MW 312.37
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.14

Literature References

PubMed DOI Target Context # Activities
28350999 10.1016/j.ejmech.2017.03.037 Steroid 17-alpha-hydroxylase/17,20 lyase 1

Data from ChEMBL 36 via Core Engine