Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5429208

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC12CC3CC(C)(C1)CC(C(=O)N[C@H](Cc1ccccc1)C(=O)O)(C3)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5429208
Phase Preclinical
Structure Type MOL
InChI Key QSBRCNGPJBWGLQ-JETYSQDGSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
3.80
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29NO3
MW 355.48
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.15

Activity Summary

EC50 2 meas. best 8.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 8.18 6.53 6.6 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 6.56 nM 8.18 Agonist activity at MRGPRX4 83L expressed in human HEK293 cells co- expressing G... 37975421
Unchecked EC50 = 13300.0 nM 4.88 Agonist activity at MRGPRX4 83S expressed in human HEK293 cells co- expressing G... 37975421

Literature References

PubMed DOI Target Context # Activities
37975421 10.1021/acs.jmedchem.3c02026 Unchecked 2

Data from ChEMBL 36 via Core Engine