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Compound Detail

CHEMBL7369

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CCCCc1nc2cnn(C)c(=O)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL7369
Phase Preclinical
Structure Type MOL
InChI Key AQWOVRZDSCZQEP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
3.89
ALogP
6
HBA
1
HBD
90.0
PSA (Ų)
0.49
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 C24H24N4O3
MW 416.48
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094256
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor IC50 = 10000.0 nM 5.0 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