Compound Detail
CHEMBL1546374
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Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1.[Br-]
Basic Information
| ChEMBL ID | CHEMBL1546374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNPPZAGTOGYHEM-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1624511 |
| Active Moiety | CHEMBL1624511 |
7
Targets
18
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
467.4
MW (Da)
6.14
ALogP
2
HBA
0
HBD
21.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 6.12
EC50 8 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BJ CHEMBL614358 | EC50 | 6.19 | 5.83 | 649.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 6.12 | 5.79 | 760.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.12 | 4.7117 | 760.0 | 6 |
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | IC50 | 5.83 | 5.6 | 1488.0 | 2 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.44 | 5.315 | 3602.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.19 | 5.19 | 6512.0 | 1 |
| Exodeoxyribonuclease V CHEMBL2095232 | IC50 | 4.55 | 4.55 | 28433.0 | 1 |
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | IC50 | 4.38 | 4.38 | 41371.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine