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Compound Detail

CHEMBL5779713

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COc1nc(Cc2c(C)nc3nonc3c2N)ccc1Br

Basic Information

ChEMBL ID CHEMBL5779713
Phase Preclinical
Structure Type MOL
InChI Key MXDXXURSYISQOC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.2
MW (Da)
2.27
ALogP
7
HBA
1
HBD
100.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12BrN5O2
MW 350.18
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.02

Activity Summary

IC50 1 meas. best 10.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ghrelin O-acyltransferase
CHEMBL3588729
IC50 10.66 10.66 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ghrelin O-acyltransferase IC50 = 0.022 nM 10.66 hGOAT Activity in HEK293 Cells after Incubation: Cells are plated with a density... -

Data from ChEMBL 36 via Core Engine