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Compound Detail

CHEMBL4793203

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Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NC2CC2)n1

Basic Information

ChEMBL ID CHEMBL4793203
Phase Preclinical
Structure Type MOL
InChI Key FFSUJBAEJTXBRA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
1.94
ALogP
8
HBA
2
HBD
126.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N7O
MW 321.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.51

Activity Summary

IC50 2 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 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33479618 10.1039/d0md00210k Ghrelin O-acyltransferase 1

Data from ChEMBL 36 via Core Engine