Compound Detail
CHEMBL601543
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
CCN1/C(=C/C=C/c2oc3ccc(-c4ccccc4)cc3[n+]2CC)Oc2ccc(-c3ccccc3)cc21.CCOS(=O)(=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL601543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSPWDHRUHGREHB-UHFFFAOYSA-M |
| Parent Compound | CHEMBL585591 |
| Active Moiety | CHEMBL585591 |
13
Targets
29
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
7.85
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 22 meas. best 6.23
IC50 7 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.23 | 5.3467 | 589.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 6.18 | 5.9817 | 659.0 | 6 |
| BJ CHEMBL614358 | EC50 | 5.88 | 5.71 | 1320.0 | 3 |
| CHO CHEMBL613853 | IC50 | 5.84 | 5.84 | 1448.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.82 | 5.82 | 1502.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | EC50 | 5.71 | 5.245 | 1930.0 | 4 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.68 | 5.68 | 2071.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.43 | 5.335 | 3740.0 | 2 |
| Streptococcus CHEMBL612313 | EC50 | 5.41 | 5.41 | 3887.0 | 1 |
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 5.05 | 5.045 | 8930.0 | 2 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.97 | 4.97 | 10706.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 4.85 | 4.85 | 14137.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | EC50 | 4.62 | 4.62 | 24200.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.61 | 4.61 | 24500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine