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Compound Detail

CHEMBL5961160

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Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(OCCCF)n1

Basic Information

ChEMBL ID CHEMBL5961160
Phase Preclinical
Structure Type MOL
InChI Key HCBYRROPYSAWTC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.3
MW (Da)
2.10
ALogP
8
HBA
1
HBD
123.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15FN6O2
MW 342.33
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.49

Activity Summary

IC50 1 meas. best 10.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ghrelin O-acyltransferase
CHEMBL3588729
IC50 10.59 10.59 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ghrelin O-acyltransferase IC50 = 0.026 nM 10.59 hGOAT Activity in HEK293 Cells after Incubation: Cells are plated with a density... -

Data from ChEMBL 36 via Core Engine