Compound Detail
CHEMBL5595644
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C[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CCC5(CC4)CCS(=O)(=O)C5)nc3)c2c1)c1c(Cl)cncc1Cl
Basic Information
| ChEMBL ID | CHEMBL5595644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXXBJCIVUMTBMX-QGZVFWFLSA-N |
1
Targets
4
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
572.5
MW (Da)
5.87
ALogP
7
HBA
1
HBD
101.1
PSA (Ų)
0.32
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.85 | 6.7925 | 14.0 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.467 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 14.0 | nM | 7.85 | Inhibition of recombinant FGFR3/BAIAP2L1 (unknown origin) transduced in mouse Ba... | 39258897 |
| Unchecked | IC50 | = | 193.0 | nM | 6.71 | Inhibition of recombinant BCR/FGFR2 (unknown origin) transduced in mouse BaF3 ce... | 39258897 |
| Unchecked | IC50 | = | 423.0 | nM | 6.37 | Inhibition of recombinant BCR/FGFR1 (unknown origin) transduced in mouse BaF3 ce... | 39258897 |
| Unchecked | IC50 | = | 577.0 | nM | 6.24 | Inhibition of recombinant BCR/FGFR4 (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