CHEMBL4064433
SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 |
InChIKey | OWWOIHXIUZIOGG-UTLBBGHISA-N |
Chemical properties
Hydrogen bond acceptors | 21 |
Hydrogen bond donors | 20 |
Rotatable bonds | 21 |
Molecular weight (Da) | 1741.8 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Human | Melanocortin | A | pKi | 5.98 | 5.98 | 5.98 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 5.21 | 5.21 | 5.21 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 4.61 | 4.61 | 4.61 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 6.41 | 6.41 | 6.41 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 5.04 | 5.66 | 6.28 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 4.79 | 4.79 | 4.79 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 5.27 | 5.27 | 5.27 | ChEMBL |