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Compound Detail

CHEMBL7478

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CCCCc1nc2cnnc(O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL7478
Phase Preclinical
Structure Type MOL
InChI Key FALHGDTUSYRWNR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
3.77
ALogP
8
HBA
2
HBD
118.3
PSA (Ų)
0.41
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 C23H22N8O
MW 426.48
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094256
IC50 7.66 7.66 22.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor IC50 = 22.0 nM 7.66 Displacement of monoiodinated angiotensin II from guinea-pig adrenal gland angio... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80279-6 Angiotensin II receptor 2

Data from ChEMBL 36 via Core Engine