Compound Detail
CHEMBL3262357
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Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12
Basic Information
| ChEMBL ID | CHEMBL3262357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTMATBOBWAXBCV-LSDHHAIUSA-N |
5
Targets
7
Activities
1
Assay Types
4
PK Parameters
9
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
3.53
ALogP
6
HBA
5
HBD
124.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 8.7 | 7.3733 | 2.0 | 3 |
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| Tyrosine-protein kinase Lyn CHEMBL3905 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Bone marrow cell CHEMBL4296515 | IC50 | 5.42 | 5.42 | 3796.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 39.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 4.0 | % | Rattus norvegicus |
| T1/2 | 0.4167 | hr | Rattus norvegicus |
| T1/2 | 13.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 2.0 | nM | 8.7 | Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product format... | 24726806 |
| Tyrosine-protein kinase ZAP-70 | IC50 | = | 33.0 | nM | 7.48 | Inhibition of ZAP70 (unknown origin) | 24726806 |
| Tyrosine-protein kinase Lyn | IC50 | = | 44.0 | nM | 7.36 | Inhibition of Lyn (unknown origin) | 24726806 |
| Tyrosine-protein kinase SYK | IC50 | = | 47.0 | nM | 7.33 | Inhibition of Syk in anti IgM-stimulated human Ramos cells assessed as BLNK phos... | 24726806 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 190.0 | nM | 6.72 | Inhibition of JAK2 (unknown origin) | 24726806 |
| Tyrosine-protein kinase SYK | IC50 | = | 805.0 | nM | 6.09 | Inhibition of Syk in human whole blood assessed as inhibition of P-SLP76 in CD14... | 24726806 |
| Bone marrow cell | IC50 | = | 3796.0 | nM | 5.42 | Inhibition of IL3 dependent proliferation in C57/B16 mouse bone marrow cells usi... | 24726806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24726806 | 10.1016/j.bmcl.2014.03.075 | Rattus norvegicus | 7 |
| 24726806 | 10.1016/j.bmcl.2014.03.075 | Tyrosine-protein kinase SYK | 3 |
| 24726806 | 10.1016/j.bmcl.2014.03.075 | Caco-2 | 2 |
| 24726806 | 10.1016/j.bmcl.2014.03.075 | Tyrosine-protein kinase Lyn | 1 |
| 24726806 | 10.1016/j.bmcl.2014.03.075 | Tyrosine-protein kinase ZAP-70 | 1 |
| 24726806 | 10.1016/j.bmcl.2014.03.075 | Tyrosine-protein kinase JAK2 | 1 |
| 24726806 | 10.1016/j.bmcl.2014.03.075 | Bone marrow cell | 1 |
| 24726806 | 10.1016/j.bmcl.2014.03.075 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 24726806 | 10.1016/j.bmcl.2014.03.075 | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine