Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL270908

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL270908
Phase Preclinical
Structure Type MOL
InChI Key RBHHFEVQQLPYEF-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
9
PK Parameters
5
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
2.79
ALogP
3
HBA
1
HBD
57.8
PSA (Ų)
0.86
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 C16H15N3O
MW 265.32
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.39

Activity Summary

IC50 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 IC50 8.0 7.83 10.0 2

Pharmacokinetic Data

Parameter Value Units Species
AUC 343.0 ng.hr.mL-1 Macaca fascicularis
AUC 937.0 ng.hr.mL-1 Rattus norvegicus
CL 12.0 mL.min-1.kg-1 Macaca fascicularis
CL 9.0 mL.min-1.kg-1 Rattus norvegicus
T1/2 0.1 hr Rattus norvegicus
T1/2 0.2167 hr Macaca fascicularis
T1/2 0.5 hr Homo sapiens
T1/2 2.1 hr Macaca fascicularis
T1/2 3.0 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 10.0 nM 8.0 Antagonist activity at human PR expressed in human T47D cells assessed as inhibi... 18318463
Progesterone receptor IC50 = 22.0 nM 7.66 Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assay 18318463

Literature References

PubMed DOI Target Context # Activities
18318463 10.1021/jm701080t Cynomolgus monkey 6
18318463 10.1021/jm701080t Rattus norvegicus 6
18318463 10.1021/jm701080t Progesterone receptor 2
18318463 10.1021/jm701080t Liver microsomes 2
18318463 10.1021/jm701080t ADMET 1

Data from ChEMBL 36 via Core Engine