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

CHEMBL261507

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
COC(=O)c1cncn1Cc1cccnc1

Basic Information

ChEMBL ID CHEMBL261507
Phase Preclinical
Structure Type MOL
InChI Key HRSQZPAMZQWTFI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
1.11
ALogP
5
HBA
0
HBD
57.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H11N3O2
MW 217.23
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.06 6.06 870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 870.0 nM 6.06 Displacement of [131I]IMTO from CYP450c 11 in Wistar rat adrenal membrane 18348518

Literature References

PubMed DOI Target Context # Activities
18348518 10.1021/jm800012w Unchecked 1

Data from ChEMBL 36 via Core Engine