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Compound Detail

CHEMBL335948

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CNc1cc(C(F)(F)F)c2cc3c(cc2n1)NC(C)(C)CC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL335948
Phase Preclinical
Structure Type MOL
InChI Key RUNGGTPMSYVMCI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
4.43
ALogP
3
HBA
2
HBD
37.0
PSA (Ų)
0.82
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 C16H18F3N3
MW 309.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
10743937 10.1016/s0960-894x(00)00010-x Androgen receptor 3

Data from ChEMBL 36 via Core Engine