Compound Detail
CHEMBL1487639
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Basic Information
| ChEMBL ID | CHEMBL1487639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIADJWREMDHKHQ-UHFFFAOYSA-N |
6
Targets
19
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
173.2
MW (Da)
1.75
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 13 meas. best 6.55
IC50 6 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BJ CHEMBL614358 | EC50 | 6.55 | 5.2625 | 284.0 | 4 |
| Unchecked CHEMBL612545 | EC50 | 6.48 | 5.292 | 333.0 | 5 |
| Unchecked CHEMBL612545 | IC50 | 6.42 | 5.4175 | 378.0 | 4 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.84 | 5.3333 | 1449.0 | 3 |
| Serine/threonine-protein phosphatase CHEMBL1293271 | EC50 | 5.41 | 5.41 | 3925.0 | 1 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 5.36 | 5.36 | 4370.0 | 1 |
| Catechol O-methyltransferase CHEMBL2372 | IC50 | 4.23 | 4.23 | 58884.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 401891 | 10.1021/jm00211a019 | No relevant target | 5 |
| 812992 | 10.1021/jm00223a031 | Streptococcus mutans | 4 |
| 817025 | 10.1021/jm00226a025 | Catechol O-methyltransferase | 1 |
| 812992 | 10.1021/jm00223a031 | No relevant target | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296182 | HEK293 | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| 33901770 | 10.1016/j.bmc.2021.116160 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 33901770 | 10.1016/j.bmc.2021.116160 | Tryptophan 2,3-dioxygenase | 1 |
| 33901770 | 10.1016/j.bmc.2021.116160 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine