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Compound Detail

CHEMBL4556712

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CCCCCCCC(C)(O)/C=C/[C@H](NC(=O)OCc1ccccc1)C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4556712
Phase Preclinical
Structure Type MOL
InChI Key WODFTDUWTSIUTP-OCEBHWSSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
4.12
ALogP
5
HBA
2
HBD
84.9
PSA (Ų)
0.32
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H33NO5
MW 391.51
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.62

Activity Summary

IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ghrelin O-acyltransferase
CHEMBL3588729
 IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ghrelin O-acyltransferase IC50 = 1500.0 nM 5.82 Inhibition of GOAT (unknown origin) 38621327

Literature References

PubMed DOI Target Context # Activities
38621327 10.1016/j.ejmech.2024.116408 Ghrelin O-acyltransferase 1

Data from ChEMBL 36 via Core Engine