Compound Detail
CHEMBL4855179
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CCN1CCN(CCCc2cc3c4c(cnc3[nH]2)CN(c2c(F)c(OC)cc(OC)c2F)C(=O)N4C)CC1
Basic Information
| ChEMBL ID | CHEMBL4855179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHJZNAHAQVRGQU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
4.00
ALogP
6
HBA
1
HBD
77.2
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 68.0 | % | Rattus norvegicus |
| T1/2 | 0.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 39.0 | nM | 7.41 | Inhibition of phosphorylated FGFR2alpha in human KATO III stomach cancer cell li... | 34269576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34269576 | 10.1021/acs.jmedchem.1c00713 | ADMET | 3 |
| 34269576 | 10.1021/acs.jmedchem.1c00713 | Unchecked | 1 |
| 34269576 | 10.1021/acs.jmedchem.1c00713 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine