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Compound Detail

CHEMBL6065698

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Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(N2CC3(COC3)C2)n1

Basic Information

ChEMBL ID CHEMBL6065698
Phase Preclinical
Structure Type MOL
InChI Key PPXUCMHEIJTKMV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.3
MW (Da)
2.09
ALogP
8
HBA
1
HBD
103.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17BrN6O2
MW 417.27
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.73

Activity Summary

IC50 1 meas. best 10.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ghrelin O-acyltransferase
CHEMBL3588729
IC50 10.7 10.7 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ghrelin O-acyltransferase IC50 = 0.02 nM 10.7 hGOAT Activity in HEK293 Cells after Incubation: Cells are plated with a density... -

Data from ChEMBL 36 via Core Engine