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Compound Detail

CHEMBL268822

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CCCCc1nc2cnn(Cc3ccc(-c4ccccc4C(=O)OC)cc3)cc-2n1

Basic Information

ChEMBL ID CHEMBL268822
Phase Preclinical
Structure Type MOL
InChI Key NFPMGTXCCRAONW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
4.62
ALogP
6
HBA
0
HBD
69.9
PSA (Ų)
0.42
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 C24H24N4O2
MW 400.48
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.06

Activity Summary

IC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094256
IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor IC50 = 100000.0 nM 4.0 Displacement of monoiodinated angiotensin II from guinea-pig adrenal gland angio... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80279-6 Angiotensin II receptor 2

Data from ChEMBL 36 via Core Engine