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Compound Detail

CHEMBL285176

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COC(=O)c1c(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc(C)nc1C

Basic Information

ChEMBL ID CHEMBL285176
Phase Preclinical
Structure Type MOL
InChI Key SIZAVOREOVRNKN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
3.94
ALogP
7
HBA
2
HBD
105.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N6O2
MW 414.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094256
IC50 8.1 8.1 8.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor IC50 = 8.03 nM 8.1 Inhibition of [125I]AII binding to guinea pig adrenal membrane -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81136-7 Angiotensin II receptor 1
- 10.1016/S0960-894X(01)81136-7 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine