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Compound Detail

CHEMBL94183

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CC1=CC(C)(C)Nc2ccc3c([nH]c4ccccc43)c21

Basic Information

ChEMBL ID CHEMBL94183
Phase Preclinical
Structure Type MOL
InChI Key XQIIPZUAAJSAIS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

262.4
MW (Da)
4.93
ALogP
1
HBA
2
HBD
27.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2
MW 262.36
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness 0.47

Activity Summary

IC50 1 meas. best 6.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 6.18 6.18 662.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 662.0 nM 6.18 Antagonist activity against human progesterone receptor B (hPR-B) in co-transfec... 9873612

Literature References

PubMed DOI Target Context # Activities
9873612 10.1016/s0960-894x(98)00482-x Progesterone receptor 3

Data from ChEMBL 36 via Core Engine