Compound Detail
CHEMBL4110580
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
COC[C@@H](C)n1c(-c2cnc(N)nc2OC)cc2c1[C@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O
Basic Information
| ChEMBL ID | CHEMBL4110580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGPTWTSRUGMJDE-FATZIPQQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
556.4
MW (Da)
5.94
ALogP
7
HBA
1
HBD
95.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 CHEMBL1907611 | IC50 | 10.11 | 10.11 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 | IC50 | = | 0.078 | nM | 10.11 | Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay: Assay 2: The test is... | - |
Data from ChEMBL 36 via Core Engine