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Compound Detail

CHEMBL2322630

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COc1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)sc2c1

Basic Information

ChEMBL ID CHEMBL2322630
Phase Preclinical
Structure Type MOL
InChI Key QQPZJDPGQJLGLV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

485.5
MW (Da)
3.37
ALogP
8
HBA
2
HBD
115.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19N5O4S
MW 485.53
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -2.17

Activity Summary

EC50 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein-serine O-palmitoleoyltransferase porcupine
CHEMBL1255164
EC50 6.68 6.68 210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23477365 10.1021/jm400159c Protein-serine O-palmitoleoyltransferase porcupine 1

Data from ChEMBL 36 via Core Engine