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

CHEMBL335323

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
CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2C#N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL335323
Phase Preclinical
Structure Type MOL
InChI Key FGIBVFGYWSDJPX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
5.17
ALogP
6
HBA
0
HBD
76.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23N5O
MW 433.52
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.68

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3948
 IC50 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-1 angiotensin II receptor IC50 = 250.0 nM 6.6 In vitro antagonist activity against angiotensin II receptor type 1 in rabbit ao... 8277505

Literature References

PubMed DOI Target Context # Activities
8277505 10.1021/jm00078a013 Type-1 angiotensin II receptor 1
8277505 10.1021/jm00078a013 Type-2 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine