CHEMBL5092761
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](Cc2c[nH]cn2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |
InChIKey | CADNRYGCBMLNJN-NYLUFHIHSA-N |
Chemical properties
Hydrogen bond acceptors | None |
Hydrogen bond donors | None |
Rotatable bonds | None |
Molecular weight (Da) |
Drug properties
Molecular type | Na |
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 | 9.15 | 9.15 | 9.15 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 6.05 | 6.05 | 6.05 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 6.45 | 6.45 | 6.45 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 10.19 | 10.19 | 10.19 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 7.74 | 7.74 | 7.74 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.07 | 7.72 | 8.37 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 5.91 | 5.91 | 5.91 | ChEMBL |