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Compound Detail

CHEMBL138918

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CCCCCCC(C(=O)O)n1cnc(NC(=O)c2ccccc2C(=O)O)c1

Basic Information

ChEMBL ID CHEMBL138918
Phase Preclinical
Structure Type MOL
InChI Key DLWQPWINAKOTAS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
3.43
ALogP
5
HBA
3
HBD
121.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N3O5
MW 373.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.46

Activity Summary

Kd 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
Kd 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus Kd = 100.0 nM 7.0 pA2 value determined by their ability to block AngII induced contractile respons... -

Literature References

PubMed DOI Target Context # Activities
7799401 10.1021/jm00052a010 Type-1 angiotensin II receptor 1
- 10.1016/S0960-894X(01)81121-5 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine