Compound Detail
CHEMBL85287
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Basic Information
| ChEMBL ID | CHEMBL85287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNGRWBQCRJBGSJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
257.5
MW (Da)
4.40
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 7.01 | 7.01 | 98.3 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 98.3 | nM | 7.01 | Compound was tested for its effect on mouse allogenic mixed lymphocyte reaction(... | - |
| Jurkat | IC50 | = | 7000.0 | nM | 5.16 | Inhibitory concentration required for 50% apoptosis induction was evaluated usin... | 12182874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844694 | 10.1016/s0960-894x(01)00837-x | Leishmania amazonensis | 4 |
| 11844694 | 10.1016/s0960-894x(01)00837-x | Leishmania braziliensis | 4 |
| 11844694 | 10.1016/s0960-894x(01)00837-x | Leishmania donovani | 4 |
| 19703769 | 10.1016/j.bmcl.2009.07.147 | Mycobacterium tuberculosis | 4 |
| 17000108 | 10.1016/j.bmcl.2006.08.113 | NON-PROTEIN TARGET | 2 |
| 17000108 | 10.1016/j.bmcl.2006.08.113 | Macrophage | 2 |
| 17000108 | 10.1016/j.bmcl.2006.08.113 | ADMET | 2 |
| - | 10.1016/S0960-894X(96)00487-8 | Mus musculus | 1 |
| 12182874 | 10.1016/s0960-894x(02)00476-6 | Jurkat | 1 |
| 22119463 | 10.1016/j.bmcl.2011.10.108 | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine