Compound Detail
CHEMBL4553127
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
COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCN(CCO)CC5)cc4)n[nH]c3n2)c1Cl
Basic Information
| ChEMBL ID | CHEMBL4553127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOVPIXFWFFQYLB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
9
PK Parameters
3
Publications
0
Known Names
Molecular Properties
571.5
MW (Da)
4.32
ALogP
8
HBA
3
HBD
115.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1075.58 | ng.hr.mL-1 | Mus musculus |
| AUC | 3509.55 | ng.hr.mL-1 | Mus musculus |
| CL | 30.99 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 1393.42 | nM | Mus musculus |
| Cmax | 1403.4 | nM | Mus musculus |
| F | 52.3 | % | Mus musculus |
| T1/2 | 3.74 | hr | Mus musculus |
| T1/2 | 3.38 | hr | Mus musculus |
| Vd | 10.03 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 0.3 | nM | 9.52 | Inhibition of recombinant human FGFR1 using poly (Glu,Tyr)4:1 as substrate incub... | 27326339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27326339 | 10.1021/acsmedchemlett.6b00066 | ADMET | 10 |
| 27326339 | 10.1021/acsmedchemlett.6b00066 | Fibroblast growth factor receptor 1 | 1 |
| 27326339 | 10.1021/acsmedchemlett.6b00066 | NCI-H1581 | 1 |
Data from ChEMBL 36 via Core Engine