Compound Detail
CHEMBL5436527
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=CC(=O)N1CCC(c2cc3c(Oc4ccc(NC(=O)NC5CC5)c(Cl)c4)ccnc3cc2OCC)CC1
Basic Information
| ChEMBL ID | CHEMBL5436527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVOZGEJRFWGHFZ-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
12
PK Parameters
8
Publications
0
Known Names
Molecular Properties
535.0
MW (Da)
6.26
ALogP
5
HBA
2
HBD
92.8
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
| Huh-7 CHEMBL614039 | IC50 | 8.03 | 8.03 | 9.4 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 7.76 | 7.76 | 17.4 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 505.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 506.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1105.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1115.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 66.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 3167.99 | nM | Rattus norvegicus |
| Cmax | 3141.82 | nM | Rattus norvegicus |
| F | 43.73 | % | Rattus norvegicus |
| T1/2 | 0.24 | hr | Rattus norvegicus |
| T1/2 | 1.3 | hr | Rattus norvegicus |
| Tmax | 0.08 | hr | Rattus norvegicus |
| Tmax | 0.25 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 4.5 | nM | 8.35 | Inhibition of FGFR1 (unknown origin) incubated for 10 mins followed by substrate... | 37335602 |
| Fibroblast growth factor receptor 2 | IC50 | = | 5.2 | nM | 8.28 | Inhibition of FGFR2 (unknown origin) incubated for 10 mins followed by substrate... | 37335602 |
| Fibroblast growth factor receptor 3 | IC50 | = | 5.5 | nM | 8.26 | Inhibition of FGFR3 (unknown origin) incubated for 10 mins followed by substrate... | 37335602 |
| Huh-7 | IC50 | = | 9.4 | nM | 8.03 | Antiproliferative activity against human Huh-7 cells incubated for 72 hrs by Cel... | 37335602 |
| Hep 3B2 | IC50 | = | 17.4 | nM | 7.76 | Antiproliferative activity against human Hep3B cells incubated for 72 hrs by Cel... | 37335602 |
| Fibroblast growth factor receptor 4 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of FGFR4 (unknown origin) incubated for 10 mins followed by substrate... | 37335602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37335602 | 10.1021/acs.jmedchem.3c00455 | ADMET | 19 |
| 37335602 | 10.1021/acs.jmedchem.3c00455 | No relevant target | 2 |
| 37335602 | 10.1021/acs.jmedchem.3c00455 | Fibroblast growth factor receptor 2 | 1 |
| 37335602 | 10.1021/acs.jmedchem.3c00455 | Fibroblast growth factor receptor 1 | 1 |
| 37335602 | 10.1021/acs.jmedchem.3c00455 | Fibroblast growth factor receptor 4 | 1 |
| 37335602 | 10.1021/acs.jmedchem.3c00455 | Huh-7 | 1 |
| 37335602 | 10.1021/acs.jmedchem.3c00455 | Hep 3B2 | 1 |
| 37335602 | 10.1021/acs.jmedchem.3c00455 | Fibroblast growth factor receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine