Compound Detail
CHEMBL4553407
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CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL4553407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRPFKEQKJXVOEF-VLSRZGDXSA-N |
12
Targets
20
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
3453.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 20 meas. best 8.3
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31986036 | 10.1021/acs.jmedchem.9b01409 | Unchecked | 8 |
| 37464764 | 10.1021/acs.jmedchem.3c01023 | Nicotinic acetylcholine receptor alpha1/beta1/epsilon/delta | 2 |
| 37464764 | 10.1021/acs.jmedchem.3c01023 | Unchecked | 2 |
| 31986036 | 10.1021/acs.jmedchem.9b01409 | Nicotinic acetylcholine receptor alpha9/alpha10 | 2 |
| 37464764 | 10.1021/acs.jmedchem.3c01023 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 37464764 | 10.1021/acs.jmedchem.3c01023 | Nicotinic acetylcholine receptor alpha9/alpha10 | 2 |
| 31986036 | 10.1021/acs.jmedchem.9b01409 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 31986036 | 10.1021/acs.jmedchem.9b01409 | Neuronal acetylcholine receptor; alpha2/beta2 | 1 |
| 37464764 | 10.1021/acs.jmedchem.3c01023 | Neuronal acetylcholine receptor; alpha9/alpha10 | 1 |
| 31986036 | 10.1021/acs.jmedchem.9b01409 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 31986036 | 10.1021/acs.jmedchem.9b01409 | Neuronal acetylcholine receptor; alpha3/beta2 | 1 |
| 31986036 | 10.1021/acs.jmedchem.9b01409 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 37464764 | 10.1021/acs.jmedchem.3c01023 | Neuronal acetylcholine receptor; alpha3/beta2 | 1 |
| 37464764 | 10.1021/acs.jmedchem.3c01023 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 37464764 | 10.1021/acs.jmedchem.3c01023 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 | 1 |
| 37464764 | 10.1021/acs.jmedchem.3c01023 | Neuronal acetylcholine receptor; alpha2/beta2 | 1 |
| 37464764 | 10.1021/acs.jmedchem.3c01023 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 37464764 | 10.1021/acs.jmedchem.3c01023 | Neuronal acetylcholine receptor; alpha2/beta4 | 1 |
| 37464764 | 10.1021/acs.jmedchem.3c01023 | Neuronal acetylcholine receptor; alpha4/beta4 | 1 |
| 37464764 | 10.1021/acs.jmedchem.3c01023 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine