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

CHEMBL341724

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
Cc1cc(Sc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)ccn1

Basic Information

ChEMBL ID CHEMBL341724
Phase Preclinical
Structure Type MOL
InChI Key PZECLYJWVGQDMG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
4.39
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N5S
MW 345.43
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.08

Activity Summary

IC50 2 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094112
IC50 5.82 5.82 1500.0 1
Unchecked
CHEMBL612545
IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7473594 10.1021/jm00023a006 Angiotensin II receptor 1
21071232 10.1016/j.bmc.2010.10.043 Unchecked 1

Data from ChEMBL 36 via Core Engine