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Compound Detail

CHEMBL3588969

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CNC(=O)c1ccc(NC(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3588969
Phase Preclinical
Structure Type MOL
InChI Key OXQFMSRKQZRLQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
3.88
ALogP
3
HBA
3
HBD
77.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12F4N4OS
MW 396.37
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -2.15

Literature References

PubMed DOI Target Context # Activities
26046313 10.1016/j.ejmech.2015.05.039 LNCaP 1
26046313 10.1016/j.ejmech.2015.05.039 Androgen receptor 1

Data from ChEMBL 36 via Core Engine