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Compound Detail

CHEMBL3589388

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CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C23CCN(C)CC3)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3589388
Phase Preclinical
Structure Type MOL
InChI Key FCHFVBWYWNDUSR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

519.5
MW (Da)
3.68
ALogP
5
HBA
1
HBD
79.7
PSA (Ų)
0.49
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 C24H21F4N5O2S
MW 519.52
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -1.47

Literature References

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

Data from ChEMBL 36 via Core Engine