Compound Detail
CHEMBL4594400
GUMARONTINIB 🧪 Phase II
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🧪 Phase II
Cn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(-c6cnn(C)c6)cn45)c3c2)cn1
Basic Information
| ChEMBL ID | CHEMBL4594400 |
| Name | GUMARONTINIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | RYBLECYFLJXEJX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
4
Known Names
2
Indications
Molecular Properties
459.5
MW (Da)
2.12
ALogP
11
HBA
0
HBD
117.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Carcinoma, Non-Small-Cell Lung Neoplasms
Activity Summary
IC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| EBC-1 CHEMBL4296411 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 0.5 | nM | 9.3 | Inhibition of MET (unknown origin) | 37262349 |
| EBC-1 | IC50 | = | 5.0 | nM | 8.3 | Antiproliferative activity against human EBC-1 cells assessed as inhibition of c... | 37262349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37262349 | 10.1021/acs.jmedchem.3c00028 | Hepatocyte growth factor receptor | 1 |
| 37262349 | 10.1021/acs.jmedchem.3c00028 | EBC-1 | 1 |
Data from ChEMBL 36 via Core Engine