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Compound Detail

CHEMBL3908085

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COc1ccc(-c2nnn(CC(=O)Nc3ccc(-c4ccccc4)cn3)c2-c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL3908085
Phase Preclinical
Structure Type MOL
InChI Key APGNKKYGKZSAHC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
5.32
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H23N5O2
MW 461.53
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.41

Activity Summary

EC50 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein-serine O-palmitoleoyltransferase porcupine
CHEMBL1255164
EC50 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27876319 10.1016/j.bmcl.2016.11.012 Protein-serine O-palmitoleoyltransferase porcupine 1

Data from ChEMBL 36 via Core Engine