Compound Detail
CHEMBL5595732
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C[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CC5(CCCN(S(C)(=O)=O)C5)C4)nc3)c2c1)c1c(Cl)cncc1Cl
Basic Information
| ChEMBL ID | CHEMBL5595732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODHPCIMEDVFZHJ-QGZVFWFLSA-N |
1
Targets
4
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
587.5
MW (Da)
5.33
ALogP
7
HBA
1
HBD
104.3
PSA (Ų)
0.33
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.22 | 7.4675 | 6.0 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.6667 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.0 | nM | 8.22 | Inhibition of recombinant FGFR3/BAIAP2L1 (unknown origin) transduced in mouse Ba... | 39258897 |
| Unchecked | IC50 | = | 39.0 | nM | 7.41 | Inhibition of recombinant BCR/FGFR4 (unknown origin) transduced in mouse BaF3 ce... | 39258897 |
| Unchecked | IC50 | = | 62.0 | nM | 7.21 | Inhibition of recombinant BCR/FGFR2 (unknown origin) transduced in mouse BaF3 ce... | 39258897 |
| Unchecked | IC50 | = | 94.0 | nM | 7.03 | 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