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Compound Detail

CHEMBL15284

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CCCCC1Nc2ccc(C(C)C)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL15284
Phase Preclinical
Structure Type MOL
InChI Key UAMNNIIFIXKFSF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
6.24
ALogP
5
HBA
2
HBD
86.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32N6O
MW 480.62
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.63

Activity Summary

IC50 2 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094112
IC50 7.05 7.05 90.0 1
Angiotensinogen
CHEMBL5291508
IC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80244-4 Angiotensin II receptor 1
29656203 10.1016/j.ejmech.2018.03.076 Angiotensinogen 1
29656203 10.1016/j.ejmech.2018.03.076 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine