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Compound Detail

CHEMBL5776289

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Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NCCCF)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5776289
Phase Preclinical
Structure Type MOL
InChI Key FAHXPNXUSPXTRZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
2.14
ALogP
8
HBA
2
HBD
126.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16FN7O
MW 341.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 10.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ghrelin O-acyltransferase
CHEMBL3588729
 IC50 10.57 10.57 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ghrelin O-acyltransferase IC50 = 0.027 nM 10.57 hGOAT Activity in HEK293 Cells after Incubation: Cells are plated with a density... -

Data from ChEMBL 36 via Core Engine