Compound Detail
CHEMBL3883565
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C=CC(=O)NC[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]1(C)CCCC=CCCC[C@@](C)(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC1=O)[C@@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL3883565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWULFOCTLISUDK-SLAXOHTASA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
2601.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-related protein A1 CHEMBL6044 | IC50 | 8.07 | 8.07 | 8.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.4667 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-related protein A1 | IC50 | = | 8.5 | nM | 8.07 | Inhibition of FITC-betaA-DIIRNIARHLAQVGDSMRSI-NH2 binding to recombinant human B... | 28105269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28105269 | 10.1021/acsmedchemlett.6b00395 | Bcl-2-related protein A1 | 10 |
| 28105269 | 10.1021/acsmedchemlett.6b00395 | ADMET | 1 |
| 28105269 | 10.1021/acsmedchemlett.6b00395 | No relevant target | 1 |
| 28105269 | 10.1021/acsmedchemlett.6b00395 | Bcl-2-like protein 1 | 1 |
| 28105269 | 10.1021/acsmedchemlett.6b00395 | G1/S-specific cyclin-D1 | 1 |
| 28105269 | 10.1021/acsmedchemlett.6b00395 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
Data from ChEMBL 36 via Core Engine