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Compound Detail

CHEMBL376286

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CC[C@@H](C)[C@H](NC(=O)c1cccc(Cn2ccnc2)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL376286
Phase Preclinical
Structure Type MOL
InChI Key SUEGQPGYLHTUGH-DOMZBBRYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
2.16
ALogP
4
HBA
2
HBD
84.2
PSA (Ų)
0.82
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 C17H21N3O3
MW 315.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.33

Activity Summary

Ki 1 meas. best 7.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-2 angiotensin II receptor
CHEMBL4607
 Ki 7.78 7.78 16.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-2 angiotensin II receptor Ki = 16.6 nM 7.78 Displacement of [125I]Ang2 from AT2 receptor in pig uterus myometrial membrane 17358051

Literature References

PubMed DOI Target Context # Activities
17358051 10.1021/jm0613469 Angiotensin II receptor (AT-1) type-1 1
17358051 10.1021/jm0613469 Type-2 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine