Compound Detail
CHEMBL102183
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
COc1cccc(-c2cn(-c3ccc(CCOP(=O)(O)CP(=O)(O)O)cc3)c3ncnc(N)c23)c1
Basic Information
| ChEMBL ID | CHEMBL102183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FANHBTVFYGHUDW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.4
MW (Da)
3.56
ALogP
8
HBA
4
HBD
170.0
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 700.0 | nM | 6.16 | In vitro inhibition of Src protein tyrosine kinase using the Scintillation proxi... | 12941334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941334 | 10.1016/s0960-894x(03)00647-4 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine