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Compound Detail

CHEMBL69278

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

Basic Information

ChEMBL ID CHEMBL69278
Phase Preclinical
Structure Type MOL
InChI Key ASIIBHJLQOZPAL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
4.08
ALogP
5
HBA
2
HBD
88.2
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 C24H23N3O3
MW 401.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.79

Activity Summary

Kd 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
Kd 6.3 6.3 501.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus Kd = 501.19 nM 6.3 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 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine