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Compound Detail

CHEMBL69824

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CCCc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL69824
Phase Preclinical
Structure Type MOL
InChI Key KZNHQXXPROIGDV-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
5.11
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N3O2
MW 385.47
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.98

Activity Summary

Kd 2 meas. best 8.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
Kd 8.5 8.5 3.2 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81149-5 Oryctolagus cuniculus 2
- 10.1016/S0960-894X(01)81149-5 Angiotensin II receptor 2

Data from ChEMBL 36 via Core Engine