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Compound Detail

CHEMBL3952126

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Cc1cnccc1-c1nnn(CC(=O)Nc2ccc(-c3ccccc3)cn2)c1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL3952126
Phase Preclinical
Structure Type MOL
InChI Key KOPFJNUYFQMQNR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
5.02
ALogP
6
HBA
1
HBD
85.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22N6O
MW 446.51
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.49

Activity Summary

EC50 1 meas. best 9.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein-serine O-palmitoleoyltransferase porcupine
CHEMBL1255164
EC50 9.85 9.85 0.1 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