Compound Detail
CHEMBL4552354
BI 3017 Enter ChEMBL ID:
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Cc1nccc(COC(=O)N2C[C@@H]3[C@@H](CNC(=O)c4ccc5[nH]nnc5c4)[C@@H]3C2)n1
Basic Information
| ChEMBL ID | CHEMBL4552354 |
| Name | BI 3017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDITZGRCUFFQRS-PHZGNYQRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
407.4
MW (Da)
1.30
ALogP
7
HBA
2
HBD
126.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Autotaxin CHEMBL3691 | IC50 | 5.05 | 5.05 | 8900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Autotaxin | IC50 | = | 8900.0 | nM | 5.05 | Biochemical assay: measurement of LPA (human) | - |
| Autotaxin | IC50 | = | 8900.0 | nM | 5.05 | Affinity Biochemical interaction: (Biochemical assay (LPA measurement)) EUB00010... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4507275 | Tyrosine-protein kinase ABL1 | 15 |
| - | 10.6019/CHEMBL4507275 | Epidermal growth factor receptor | 12 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507275 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| - | 10.6019/CHEMBL4507275 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| - | 10.6019/CHEMBL5058564 | U2OS | 9 |
| - | 10.6019/CHEMBL4507275 | Mast/stem cell growth factor receptor Kit | 9 |
| - | 10.6019/CHEMBL4507275 | Unchecked | 8 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 6 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL4507275 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
| - | 10.6019/CHEMBL5303304 | U2OS | 4 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 4 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 3 |
| - | 10.6019/CHEMBL4507275 | ALK tyrosine kinase receptor | 3 |
| - | 10.6019/CHEMBL4507275 | Hepatocyte growth factor receptor | 3 |
| - | 10.6019/CHEMBL4507275 | Ribosomal protein S6 kinase alpha-3 | 2 |
Data from ChEMBL 36 via Core Engine