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Compound Detail

CHEMBL3968025

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O=C(Cn1nnc(-c2ccncc2)c1-c1cccc2ccccc12)Nc1ccc(-c2ccccc2)cn1

Basic Information

ChEMBL ID CHEMBL3968025
Phase Preclinical
Structure Type MOL
InChI Key KVIGWEJPUMMRKI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

482.6
MW (Da)
5.86
ALogP
6
HBA
1
HBD
85.6
PSA (Ų)
0.32
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 C30H22N6O
MW 482.55
Aromatic Rings 6
Heavy Atoms 37
NP-Likeness -1.44

Activity Summary

EC50 1 meas. best 8.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein-serine O-palmitoleoyltransferase porcupine
CHEMBL1255164
EC50 8.19 8.19 6.5 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