Compound Detail
CHEMBL5583622
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CCOC(=O)N1CC2(C1)CN(c1ccc(-c3n[nH]c4ccc(O[C@H](C)c5c(Cl)cncc5Cl)cc34)cn1)C2
Basic Information
| ChEMBL ID | CHEMBL5583622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSQBWOSADCHZLP-MRXNPFEDSA-N |
1
Targets
4
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
553.5
MW (Da)
5.75
ALogP
7
HBA
1
HBD
96.5
PSA (Ų)
0.33
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.66 | 6.7525 | 22.0 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.45 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 22.0 | nM | 7.66 | Inhibition of recombinant FGFR3/BAIAP2L1 (unknown origin) transduced in mouse Ba... | 39258897 |
| Unchecked | IC50 | = | 248.0 | nM | 6.61 | Inhibition of recombinant BCR/FGFR2 (unknown origin) transduced in mouse BaF3 ce... | 39258897 |
| Unchecked | IC50 | = | 418.0 | nM | 6.38 | Inhibition of recombinant BCR/FGFR4 (unknown origin) transduced in mouse BaF3 ce... | 39258897 |
| Unchecked | IC50 | = | 434.0 | nM | 6.36 | 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