Compound Detail
CHEMBL5414962
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Cc1ccc(C(=O)Nc2ccc(CN3CCN(C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C4CCN(c5ncc(C(=O)Nc6ccc(OC(F)(F)Cl)cc6)cc5-c5ccn[nH]5)CC4)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12
Basic Information
| ChEMBL ID | CHEMBL5414962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAALVSOKWZKXRF-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
2120.8
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | EC50 | 9.06 | 8.32 | 0.9 | 2 |
| Bcr/Abl fusion protein CHEMBL2096618 | EC50 | 8.45 | 7.82 | 3.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | EC50 | = | 0.87 | nM | 9.06 | Antiproliferative activity against human K562 cells assessed as inhibition of ce... | 37849551 |
| Bcr/Abl fusion protein | EC50 | = | 3.57 | nM | 8.45 | Inhibition of wild type human BCR-ABL1 using Tyr2 peptide as substrate incubated... | 37849551 |
| K562 | EC50 | = | 26.29 | nM | 7.58 | Antiproliferative activity against human K562 cells expressing ABL T315I mutant ... | 37849551 |
| Bcr/Abl fusion protein | EC50 | = | 64.03 | nM | 7.19 | 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