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Compound Detail

CHEMBL3588966

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CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)CC(=O)O)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3588966
Phase Preclinical
Structure Type MOL
InChI Key TXJVCEAHYJCUMD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

508.4
MW (Da)
3.45
ALogP
5
HBA
2
HBD
113.7
PSA (Ų)
0.47
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 C22H16F4N4O4S
MW 508.45
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.27

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