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Compound Detail

CHEMBL292430

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CCNc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(O)n2)cc1

Basic Information

ChEMBL ID CHEMBL292430
Phase Preclinical
Structure Type MOL
InChI Key NHPIMBXSLCZMKF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

455.5
MW (Da)
4.64
ALogP
8
HBA
3
HBD
126.3
PSA (Ų)
0.32
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 C25H21N5O4
MW 455.47
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.04

Activity Summary

IC50 1 meas. best 7.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3374
IC50 7.38 7.38 42.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00319-O Rattus norvegicus 2
- 10.1016/0960-894X(95)00319-O Type-1 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine