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Compound Detail

CHEMBL354327

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CC1(C)Nc2ccc(-c3csc(C#N)c3)cc2C(C)(C)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL354327
Phase Preclinical
Structure Type MOL
InChI Key HIKUMGCHSRPIBA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
4.70
ALogP
4
HBA
1
HBD
45.0
PSA (Ų)
0.83
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 C17H18N2OS
MW 298.41
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.01

Activity Summary

EC50 1 meas. best 8.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 EC50 8.04 8.04 9.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor EC50 = 9.2 nM 8.04 Agonistic activity against progesterone receptor in alkaline phosphatase assay u... 11859003

Literature References

PubMed DOI Target Context # Activities
11859003 10.1016/s0960-894x(02)00025-2 Progesterone receptor 2

Data from ChEMBL 36 via Core Engine