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Compound Detail

CHEMBL74347

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O=C(O)c1nc(CO)nc2c1CCC(=O)N2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL74347
Phase Preclinical
Structure Type MOL
InChI Key DBYJOZNUSPQPFO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.4
MW (Da)
1.99
ALogP
8
HBA
3
HBD
158.1
PSA (Ų)
0.39
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 C23H19N7O4
MW 457.45
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.75

Activity Summary

IC50 1 meas. best 7.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL227
IC50 7.36 7.36 44.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12773029 10.1021/jm0204237 Type-1 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine