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

CHEMBL567897

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
CCCc1nc2c(C)cccc2n1Cc1ccc(CCc2nnn[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL567897
Phase Preclinical
Structure Type MOL
InChI Key WNJDMVOAVMFECT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
3.64
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N6
MW 360.46
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.67

Activity Summary

Ki 1 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor A
CHEMBL329
Ki 5.55 5.55 2840.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20073471 10.1021/jm901272d Type-1 angiotensin II receptor A 1
20073471 10.1021/jm901272d Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine