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Compound Detail

CHEMBL1474431

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Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1474431
Phase Preclinical
Structure Type MOL
InChI Key ICFHLLKRMQAKMP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
3.58
ALogP
4
HBA
1
HBD
86.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31N3O4S
MW 457.60
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -2.20

Activity Summary

IC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL227
 IC50 5.66 5.66 2187.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-1 angiotensin II receptor IC50 = 2187.76 nM 5.66 Displacement of [125I-Sar1-Ile8]Ang2 from human AT1 receptor expressed in HEK293... 27480029

Literature References

PubMed DOI Target Context # Activities
27480029 10.1016/j.bmc.2016.07.047 Type-1 angiotensin II receptor 2

Data from ChEMBL 36 via Core Engine