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Compound Detail

CHEMBL367155

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Cc1cc(=O)oc2cc(NC(=O)[C@@](C)(O)CSc3ccc(F)cc3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL367155
Phase Preclinical
Structure Type MOL
InChI Key XERBHPWLQAVDLO-FQEVSTJZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
3.72
ALogP
5
HBA
2
HBD
79.5
PSA (Ų)
0.52
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 C20H18FNO4S
MW 387.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.92

Activity Summary

Ki 1 meas. best 7.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
 Ki 7.04 7.04 91.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor Ki = 91.2 nM 7.04 Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventr... 15715462

Literature References

PubMed DOI Target Context # Activities
15715462 10.1021/jm0495879 Androgen receptor 1

Data from ChEMBL 36 via Core Engine