Compound Detail
CHEMBL178654
HKI-357 Phase I
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Phase I
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C
Basic Information
| ChEMBL ID | CHEMBL178654 |
| Name | HKI-357 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | NERXPXBELDBEPZ-RMKNXTFCSA-N |
5
Targets
15
Activities
1
Assay Types
0
PK Parameters
20
Publications
1
Known Names
Molecular Properties
574.1
MW (Da)
6.68
ALogP
7
HBA
2
HBD
99.5
PSA (Ų)
0.19
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 15 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 8.6 | 7.2283 | 2.5 | 6 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.6 | 7.3917 | 2.5 | 6 |
| SK-BR-3 CHEMBL613834 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| A-431 CHEMBL614069 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| SW-620 CHEMBL612262 | IC50 | 6.29 | 6.29 | 511.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | HEK-293T | 262 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 261 |
| - | 10.6019/CHEMBL4689842 | U2OS | 261 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| 15715478 | 10.1021/jm040159c | Mus musculus | 7 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.6019/CHEMBL5444388 | Receptor tyrosine-protein kinase erbB-2 | 4 |
| - | 10.6019/CHEMBL5444388 | Epidermal growth factor receptor | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 15715478 | 10.1021/jm040159c | SW-620 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 15715478 | 10.1021/jm040159c | SK-BR-3 | 1 |
| 15715478 | 10.1021/jm040159c | Epidermal growth factor receptor | 1 |
| 15715478 | 10.1021/jm040159c | Receptor tyrosine-protein kinase erbB-2 | 1 |
| - | 10.6019/CHEMBL5060014 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5060014 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5060014 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5060014 | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine