Compound Detail
CHEMBL5590821
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COC(=O)N1CCN(c2ccc(-c3n[nH]c4ccc(O[C@H](C)c5c(Cl)cncc5Cl)cc34)cn2)CC1
Basic Information
| ChEMBL ID | CHEMBL5590821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTLFWDMXPJVDIB-OAHLLOKOSA-N |
2
Targets
5
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
527.4
MW (Da)
5.36
ALogP
7
HBA
1
HBD
96.5
PSA (Ų)
0.37
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.42
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1417 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 38.0 | nM | 7.42 | Inhibition of recombinant FGFR3/BAIAP2L1 (unknown origin) transduced in mouse Ba... | 39258897 |
| Unchecked | IC50 | = | 387.0 | nM | 6.41 | Inhibition of recombinant BCR/FGFR2 (unknown origin) transduced in mouse BaF3 ce... | 39258897 |
| Unchecked | IC50 | = | 556.0 | nM | 6.25 | Inhibition of recombinant BCR/FGFR1 (unknown origin) transduced in mouse BaF3 ce... | 39258897 |
| Unchecked | IC50 | = | 591.0 | nM | 6.23 | Inhibition of recombinant BCR/FGFR4 (unknown origin) transduced in mouse BaF3 ce... | 39258897 |
| TEL/KDR | IC50 | = | 637.0 | nM | 6.2 | Inhibition of recombinant TEL/VEGFR2 (unknown origin) transduced in mouse BaF3 c... | 39258897 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39258897 | 10.1021/acs.jmedchem.4c01531 | Unchecked | 5 |
| 39258897 | 10.1021/acs.jmedchem.4c01531 | TEL/KDR | 1 |
| 39258897 | 10.1021/acs.jmedchem.4c01531 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine