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Compound Detail

CHEMBL86141

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O=Cc1nn(-c2ccccc2)c2c1CCCC2Cc1cccc2ccccc12

Basic Information

ChEMBL ID CHEMBL86141
Phase Preclinical
Structure Type MOL
InChI Key GLIWIXDOLORLPZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
5.50
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N2O
MW 366.46
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.35

Activity Summary

IC50 1 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL3456
IC50 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 6.0 nM 8.22 Binding affinity determined by ability to displace [3H]R5020 radioligand using u... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10016-6 Progesterone receptor 1
- 10.1016/S0960-894X(97)10016-6 T47D 1

Data from ChEMBL 36 via Core Engine