CHEMBL5170533
CHEMBL5170533
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SMILES | CCCC[C@@H]1NC(=O)[C@@H]2CSCCCSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 |
InChIKey | HJERQRDKWIWHPW-RJVDFBNNSA-N |
Chemical Properties
Hydrogen bond acceptors | 24 |
Hydrogen bond donors | 32 |
Rotatable bonds | 33 |
Molecular weight (Da) | 2096.0 |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
CHEMBL5170533
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Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Clinical Trials
Phase I
0
Phase II
0
Phase III
0
Approved
No