Compound Detail
CHEMBL5594268
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C[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CC5(C4)CN(S(C)(=O)=O)C5)nc3)c2c1)c1c(Cl)cccc1Cl
Basic Information
| ChEMBL ID | CHEMBL5594268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGQLJJXIDWTELI-MRXNPFEDSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
558.5
MW (Da)
5.15
ALogP
6
HBA
1
HBD
91.4
PSA (Ų)
0.35
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.52 | 6.955 | 30.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| t1/2 | - | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Inhibition of recombinant FGFR3/BAIAP2L1 (unknown origin) transduced in mouse Ba... | 39258897 |
| Unchecked | IC50 | = | 405.0 | nM | 6.39 | Inhibition of recombinant BCR/FGFR1 (unknown origin) transduced in mouse BaF3 ce... | 39258897 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39258897 | 10.1021/acs.jmedchem.4c01531 | Unchecked | 5 |
| 39258897 | 10.1021/acs.jmedchem.4c01531 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine