Compound Detail
CHEMBL4447110
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Cc1ccc2oc(-c3c4c(N)n[nH]c(=O)c4nn3-c3ccc(NC(=O)/C=C/CN4CCOCC4)cc3)c(C)c2c1
Basic Information
| ChEMBL ID | CHEMBL4447110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPGIHICOGVAEBN-ONEGZZNKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
539.6
MW (Da)
3.55
ALogP
9
HBA
3
HBD
144.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KG-1 CHEMBL612264 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.51 | 7.51 | 30.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KG-1 | IC50 | = | 2.7 | nM | 8.57 | Antiproliferative activity against human KG1 cells measured after 72 hrs by CCK8... | 31335138 |
| Fibroblast growth factor receptor 2 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human FGFR2 using poly (Glu, Tyr)4:1 as substrate measured after 6... | 31335138 |
| Fibroblast growth factor receptor 1 | IC50 | = | 30.9 | nM | 7.51 | Inhibition of human FGFR1 using poly (Glu, Tyr)4:1 as substrate measured after 6... | 31335138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31335138 | 10.1021/acs.jmedchem.9b00510 | Fibroblast growth factor receptor 1 | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | KG-1 | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | Fibroblast growth factor receptor 2 | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine