Compound Detail
CHEMBL1310221
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
Basic Information
| ChEMBL ID | CHEMBL1310221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXVSDVHJZIFLCW-UHFFFAOYSA-N |
11
Targets
13
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
336.3
MW (Da)
3.09
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 6.22
IC50 5 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 6.49 | 6.49 | 321.9 | 1 |
| BJ CHEMBL614358 | EC50 | 6.22 | 6.22 | 605.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.82 | 5.82 | 1513.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.75 | 5.75 | 1780.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.74 | 5.74 | 1830.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.63 | 5.62 | 2320.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.63 | 5.54 | 2328.0 | 2 |
| Streptococcus CHEMBL612313 | EC50 | 5.21 | 5.21 | 6203.0 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.05 | 5.05 | 8810.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 4.37 | 4.37 | 42448.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 4.28 | 4.28 | 52160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine