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Compound Detail

CHEMBL71456

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Cn1c(-c2ccc3c(c2)C(C)(C)OC(=O)N3)cnc1C#N

Basic Information

ChEMBL ID CHEMBL71456
Phase Preclinical
Structure Type MOL
InChI Key MHYVAHFKRGRNAY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
2.76
ALogP
5
HBA
1
HBD
79.9
PSA (Ų)
0.87
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 C15H14N4O2
MW 282.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.22

Activity Summary

EC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
EC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor EC50 = 130.0 nM 6.89 Agonistic activity measures the ability to induce alkaline phosphatase in T47D h... 15081005

Literature References

PubMed DOI Target Context # Activities
15081005 10.1016/j.bmcl.2004.02.054 Progesterone receptor 2

Data from ChEMBL 36 via Core Engine