Compound Detail
CHEMBL3633802
ETC-159 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL3633802 |
| Name | ETC-159 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | QTRXIFVSTWXRJJ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
1
PK Parameters
11
Publications
2
Known Names
1
Indications
Molecular Properties
391.4
MW (Da)
0.53
ALogP
9
HBA
1
HBD
116.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Neoplasms
Activity Summary
IC50 5 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-serine O-palmitoleoyltransferase porcupine CHEMBL1255163 | IC50 | 8.54 | 8.54 | 2.9 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.54 | 7.85 | 2.9 | 2 |
| Protein-serine O-palmitoleoyltransferase porcupine CHEMBL1255164 | IC50 | 7.74 | 7.74 | 18.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 100.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-serine O-palmitoleoyltransferase porcupine | IC50 | = | 2.9 | nM | 8.54 | Inhibition of porcupine in human HEK293 cells assessed as reduction in Wnt secre... | 26522946 |
| Protein-serine O-palmitoleoyltransferase porcupine | IC50 | = | 2.9 | nM | 8.54 | Inhibition of porcupine (unknown origin) | 28671458 |
| Unchecked | IC50 | = | 2.9 | nM | 8.54 | Inhibition of Wnt/beta catenin signaling pathway in HEK293T cells assessed as re... | 38621327 |
| Protein-serine O-palmitoleoyltransferase porcupine | IC50 | = | 18.1 | nM | 7.74 | Inhibition of mouse porcupine expressed in human HT1080 cells assessed as reduct... | 26522946 |
| Unchecked | IC50 | = | 70.0 | nM | 7.16 | Inhibition of xenopus porcupine expressed in human HT1080 cells assessed as redu... | 26522946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 26522946 | 10.1016/j.bmcl.2015.10.032 | Protein-serine O-palmitoleoyltransferase porcupine | 3 |
| 26522946 | 10.1016/j.bmcl.2015.10.032 | NON-PROTEIN TARGET | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 26522946 | 10.1016/j.bmcl.2015.10.032 | Unchecked | 1 |
| 28671458 | 10.1021/acs.jmedchem.7b00662 | Protein-serine O-palmitoleoyltransferase porcupine | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 33822624 | 10.1021/acs.jmedchem.0c01799 | ADMET | 1 |
| 33822624 | 10.1021/acs.jmedchem.0c01799 | HEK293 | 1 |
| 38621327 | 10.1016/j.ejmech.2024.116408 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine