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Compound Detail

CHEMBL9328

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CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCF

Basic Information

ChEMBL ID CHEMBL9328
Phase Preclinical
Structure Type MOL
InChI Key KVTLRQNDLHXHKE-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

371.3
MW (Da)
3.87
ALogP
3
HBA
0
HBD
64.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17F4N3O2
MW 371.33
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.28

Activity Summary

Ki 2 meas. best 6.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
Ki 6.67 6.67 213.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11327585 10.1016/s0960-894x(01)00146-9 Androgen receptor 1
15715462 10.1021/jm0495879 Androgen receptor 1

Data from ChEMBL 36 via Core Engine