Compound Detail
CHEMBL5814333
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[C@H]1CNCCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c4c3OCO4)c3c(=O)n4c(nc32)CCC4)c(Cl)c(F)n1
Basic Information
| ChEMBL ID | CHEMBL5814333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCHVJUUNTRDMDC-ZDUSSCGKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
639.0
MW (Da)
1.97
ALogP
12
HBA
4
HBD
178.9
PSA (Ų)
0.23
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BCL-6/NCOR2 CHEMBL4523673 | Kd | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BCL-6/NCOR2 | Kd | = | 0.7 | nM | 9.15 | BCL6-BTB-SMRT Peptide Inhibition Fluorescence Polarization (FP) Screen: This ass... | - |
Data from ChEMBL 36 via Core Engine