Compound Detail
CHEMBL461579
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
CC[n+]1c(/C=C/N(C)c2ccccc2)n(-c2ccccc2)c2ccc(-c3nc4ccccc4s3)cc21.[I-]
Basic Information
| ChEMBL ID | CHEMBL461579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAYRELMNTQSBIN-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1186409 |
| Active Moiety | CHEMBL1186409 |
9
Targets
34
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
7.32
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 19 meas. best 6.47
IC50 15 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.47 | 5.8563 | 337.0 | 8 |
| BJ CHEMBL614358 | EC50 | 6.45 | 5.7875 | 355.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 6.06 | 5.2318 | 870.0 | 11 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.92 | 5.2333 | 1195.0 | 3 |
| Jurkat CHEMBL397 | IC50 | 5.82 | 5.82 | 1530.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.49 | 5.49 | 3267.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.44 | 5.16 | 3606.0 | 2 |
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 5.13 | 5.07 | 7423.0 | 2 |
| Streptococcus CHEMBL612313 | EC50 | 4.92 | 4.92 | 12047.0 | 1 |
| Bcl-2-related protein A1 CHEMBL1293239 | IC50 | 4.88 | 4.88 | 13200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine