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Compound Detail

CHEMBL3188386

WNT-974
🧪 Phase II
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🧪 Phase II
Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3188386
Name WNT-974
Phase Phase II
Structure Type MOL
InChI Key XXYGTCZJJLTAGH-UHFFFAOYSA-N

Known Names

LGK-974 Lgk974 Wnt-974 Wnt974
6
Targets
12
Activities
1
Assay Types
6
PK Parameters
20
Publications
4
Known Names
1
Indications
1
Mechanisms

Molecular Properties

396.4
MW (Da)
3.79
ALogP
6
HBA
1
HBD
93.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C23H20N6O
MW 396.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.38

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Probable protein-cysteine N-palmitoyltransferase porcupine inhibitor INHIBITOR Protein-serine O-palmitoleoyltransferase porcupine ✓ ✓

Indications

Carcinoma, Squamous Cell

Activity Summary

IC50 12 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 9.7 9.335 0.2 4
Protein Wnt-3a
CHEMBL1255137
 IC50 9.42 9.42 0.4 1
Protein-serine O-palmitoleoyltransferase porcupine
CHEMBL1255163
 IC50 9.4 9.4 0.4 2
Protein-serine O-palmitoleoyltransferase porcupine
CHEMBL1255164
 IC50 9.4 9.1667 0.4 3
Molecular identity unknown
CHEMBL612546
 IC50 9.05 9.05 0.9 1
SARS-CoV-2
CHEMBL4303835
 IC50 5.49 5.49 3270.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 3.0 mL.min-1.kg-1 Rattus norvegicus
CL 2.0 mL.min-1.kg-1 Homo sapiens
CL 22.0 mL.min-1.kg-1 Mus musculus
T1/2 9.35 hr Homo sapiens
T1/2 12.83 hr Rattus norvegicus
T1/2 4.617 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 0.2 nM 9.7 Inhibition of Wnt/beta catenin signaling pathway in HEK293T cells assessed as re... 38621327
Protein Wnt-3a IC50 = 0.38 nM 9.42 Wnt-Luc Reporter Assay: Human embryonic kidney 293 cells (obtained from American... -
Protein-serine O-palmitoleoyltransferase porcupine IC50 = 0.4 nM 9.4 Inhibition of porcupine activity (unknown origin) expressed in human HT1080 cell... 26522946
Protein-serine O-palmitoleoyltransferase porcupine IC50 = 0.4 nM 9.4 Inhibition of porcupine (unknown origin) 28671458
Protein-serine O-palmitoleoyltransferase porcupine IC50 = 0.4 nM 9.4 Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with ... 27437076
Unchecked IC50 = 0.4 nM 9.4 Inhibition of Wnt signaling pathway in mouse TM3 cells harbouring STF-reporter l... 33783220
Unchecked IC50 = 0.57 nM 9.24 Inhibition of Wnt/beta-catenin pathway in mouse L Wnt3A cells after 48 hrs by TO... 30772099
Molecular identity unknown IC50 = 0.9 nM 9.05 Inhibition of Wnt signaling (unknown origin) expressed in mouse L Wnt3A cells co... 26647303
Protein-serine O-palmitoleoyltransferase porcupine IC50 = 0.9 nM 9.05 Inhibition of porcupine in mouse L Wnt3A cells co-cultured with HEK293 cells aft... 27692509
Protein-serine O-palmitoleoyltransferase porcupine IC50 = 0.9 nM 9.05 Inhibition of porcupine in mouse L Wnt3A cells co-cultured with HEK293 cells ass... 29499483
Unchecked IC50 = 1.0 nM 9.0 Inhibition of Wnt pathway (unknown origin) 33822624
SARS-CoV-2 IC50 = 3270.0 nM 5.49 Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... -

Literature References

PubMed DOI Target Context # Activities
27692509 10.1016/j.bmc.2016.09.041 ADMET 8
29499483 10.1016/j.ejmech.2018.02.034 Protein-serine O-palmitoleoyltransferase porcupine 7
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
33822624 10.1021/acs.jmedchem.0c01799 Unchecked 3
27692509 10.1016/j.bmc.2016.09.041 Protein-serine O-palmitoleoyltransferase porcupine 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
29499483 10.1016/j.ejmech.2018.02.034 Protein smoothened 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 2
30772099 10.1016/j.bmcl.2019.02.009 Unchecked 2
- 10.21203/rs.3.rs-23951/v1 Caco-2 1
26522946 10.1016/j.bmcl.2015.10.032 Protein-serine O-palmitoleoyltransferase porcupine 1
26647303 10.1016/j.ejmech.2015.11.026 ADMET 1
38621327 10.1016/j.ejmech.2024.116408 Unchecked 1
27437076 10.1021/acsmedchemlett.6b00038 No relevant target 1
- 10.21203/rs.3.rs-23951/v1 ADMET 1
26647303 10.1016/j.ejmech.2015.11.026 Molecular identity unknown 1
26647303 10.1016/j.ejmech.2015.11.026 Protein-serine O-palmitoleoyltransferase porcupine 1
29499483 10.1016/j.ejmech.2018.02.034 HEK-293T 1
28671458 10.1021/acs.jmedchem.7b00662 Protein-serine O-palmitoleoyltransferase porcupine 1

Data from ChEMBL 36 via Core Engine