WNT-974

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Synonyms
Status
Molecule Category Free-form
UNII U27F40013Q

Structure

InChI Key XXYGTCZJJLTAGH-UHFFFAOYSA-N
Smiles Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1
InChI
InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H20N6O
Molecular Weight 396.45
AlogP 3.79
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 93.55
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Probable protein-cysteine N-palmitoyltransferase porcupine inhibitor INHIBITOR PubMed PubMed ClinicalTrials
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 0.4-0.9 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.4-0.9 - - -
Mus musculus
- 0.4-0.9 - - 93

Target Conservation

Protein: Probable protein-cysteine N-palmitoyltransferase porcupine
Description: Protein-serine O-palmitoleoyltransferase porcupine
Organism : Homo sapiens
Q9H237 ENSG00000102312

Cross References

Resources Reference
ChEBI 78030
ChEMBL CHEMBL3188386
DrugBank DB12561
FDA SRS U27F40013Q
Guide to Pharmacology 11167
PubChem 46926973
SureChEMBL SCHEMBL1723611
ZINC ZINC000095930187
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