Compound Detail
CHEMBL5435926
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Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C3CCN(c4ncc(C(=O)Nc5ccc(OC(F)(F)Cl)cc5)cc4-c4ccn[nH]4)CC3)CC2)n1
Basic Information
| ChEMBL ID | CHEMBL5435926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITAWYPWFFGKDPW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1429.4
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcr/Abl fusion protein CHEMBL2096618 | EC50 | 9.1 | 8.36 | 0.8 | 2 |
| K562 CHEMBL385 | EC50 | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcr/Abl fusion protein | EC50 | = | 0.8 | nM | 9.1 | Inhibition of wild type human BCR-ABL1 using Tyr2 peptide as substrate incubated... | 37849551 |
| K562 | EC50 | = | 2.49 | nM | 8.6 | Antiproliferative activity against human K562 cells assessed as inhibition of ce... | 37849551 |
| Bcr/Abl fusion protein | EC50 | = | 23.8 | nM | 7.62 | Inhibition of human BCR-ABL1 T315I mutant using Tyr2 peptide as substrate incuba... | 37849551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37849551 | 10.1021/acsmedchemlett.3c00389 | K562 | 2 |
| 37849551 | 10.1021/acsmedchemlett.3c00389 | Bcr/Abl fusion protein | 2 |
Data from ChEMBL 36 via Core Engine