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Compound Detail

CHEMBL5532041

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Cc1nc(N)c2c(CCc3ccc(C(=O)O)cc3)coc2n1

Basic Information

ChEMBL ID CHEMBL5532041
Phase Preclinical
Structure Type MOL
InChI Key UYKJTJYUTZMHKU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
2.60
ALogP
5
HBA
2
HBD
102.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O3
MW 297.31
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.16

Activity Summary

IC50 1 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ghrelin O-acyltransferase
CHEMBL3588729
IC50 6.77 6.77 170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ghrelin O-acyltransferase IC50 = 170.0 nM 6.77 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