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Compound Detail

CHEMBL70189

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Cc1ccnc2c1nc(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL70189
Phase Preclinical
Structure Type MOL
InChI Key GEKQJRHOBXNXBL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
4.46
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N3O2
MW 357.41
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.93

Activity Summary

Kd 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
Kd 7.3 7.3 50.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus Kd = 50.12 nM 7.3 Potency of the Angiotensin II-induced contraction of rabbit aortic strips -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81149-5 Oryctolagus cuniculus 1
- 10.1016/S0960-894X(01)81149-5 Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine