Compound Detail
CHEMBL2159742
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2159742 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PFRLJDXQSSWCKN-WBHCNHBUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
2711.0
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human N-terminal His8-tagged Mcl1 expressed in Escherichia coli BL... | 22747598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22747598 | 10.1021/jm300608w | Bcl-2-like protein 1 | 2 |
| 22747598 | 10.1021/jm300608w | Unchecked | 2 |
| 22747598 | 10.1021/jm300608w | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| 22747598 | 10.1021/jm300608w | NCI-H1963 | 1 |
| 22747598 | 10.1021/jm300608w | NCI-H1417 | 1 |
| 22747598 | 10.1021/jm300608w | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine