Compound Detail
CHEMBL2069360
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O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1ccc(C(=O)O)nc1
Basic Information
| ChEMBL ID | CHEMBL2069360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLTQMVAHJARAFR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
2.43
ALogP
10
HBA
4
HBD
158.2
PSA (Ų)
0.30
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine--tRNA ligase CHEMBL5575 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| LAD2 CHEMBL4483253 | IC50 | 6.69 | 6.69 | 204.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine--tRNA ligase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human recombinant full-length Syk using poly-GT as substrate after... | 22877633 |
| LAD2 | IC50 | = | 204.0 | nM | 6.69 | Inhibition of human LAD2 cells degranulation preincubated for 30 mins before str... | 22877633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22877633 | 10.1016/j.bmcl.2012.07.045 | Lysine--tRNA ligase | 1 |
| 22877633 | 10.1016/j.bmcl.2012.07.045 | CHO | 1 |
| 22877633 | 10.1016/j.bmcl.2012.07.045 | LAD2 | 1 |
Data from ChEMBL 36 via Core Engine