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Compound Detail

CHEMBL144345

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Cc1ccc(C(=O)N2CCCC(c3ccccc3)=N2)cc1

Basic Information

ChEMBL ID CHEMBL144345
Phase Preclinical
Structure Type MOL
InChI Key LBVZDXOTAWYART-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
3.64
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2O
MW 278.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 6.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 6.38 6.38 416.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 416.0 nM 6.38 Binding affinity against Progesterone receptor in human TE85 osteosarcoma cells ... 8523400

Literature References

PubMed DOI Target Context # Activities
8523400 10.1021/jm00025a004 Progesterone receptor 1
8523399 10.1021/jm00025a003 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine