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Compound Detail

CHEMBL285560

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CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(I)c(CC)n1

Basic Information

ChEMBL ID CHEMBL285560
Phase Preclinical
Structure Type MOL
InChI Key CJOUEUPOWAKVHI-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

511.4
MW (Da)
5.24
ALogP
5
HBA
1
HBD
76.6
PSA (Ų)
0.34
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22IN5O
MW 511.37
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.92

Activity Summary

IC50 2 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL1671613
IC50 7.85 7.85 14.0 1
Angiotensin II receptor
CHEMBL2094256
IC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8487261 10.1021/jm00061a016 Type-1 angiotensin II receptor 1
8487261 10.1021/jm00061a016 Rattus norvegicus 1
- 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