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Compound Detail

CHEMBL266786

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CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCc1ccc(I)cc1

Basic Information

ChEMBL ID CHEMBL266786
Phase Preclinical
Structure Type MOL
InChI Key OMJYGBRUJHYKFS-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

541.3
MW (Da)
5.36
ALogP
3
HBA
0
HBD
64.4
PSA (Ų)
0.38
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19F3IN3O2
MW 541.31
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.32

Activity Summary

Ki 2 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
Ki 7.19 7.19 64.6 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