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Compound Detail

CHEMBL27922

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CC1(C)OC(S)=Nc2c(Br)cc(-c3ccc(C#N)c(F)c3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL27922
Phase Preclinical
Structure Type MOL
InChI Key GNKOPWLHLUFXJA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.3
MW (Da)
5.31
ALogP
3
HBA
1
HBD
45.4
PSA (Ų)
0.67
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12BrFN2OS
MW 391.26
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
12657271 10.1016/s0960-894x(03)00128-8 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine