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Compound Detail

CHEMBL15484

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CCCC1Nc2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL15484
Phase Preclinical
Structure Type MOL
InChI Key NYYAWUQQKRNUEW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
4.73
ALogP
5
HBA
2
HBD
86.8
PSA (Ų)
0.47
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 C25H24N6O
MW 424.51
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.67

Activity Summary

IC50 2 meas. best 6.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094112
IC50 6.27 6.27 540.0 1
Angiotensinogen
CHEMBL5291508
IC50 6.27 6.27 540.0 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