CHEMBL4067967
SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 |
InChIKey | VIJAYCRGMXEAAI-IRLNSCPWSA-N |
Chemical properties
Hydrogen bond acceptors | 21 |
Hydrogen bond donors | 20 |
Rotatable bonds | 20 |
Molecular weight (Da) | 1693.8 |
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 | 8.17 | 8.17 | 8.17 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 5.71 | 5.71 | 5.71 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 6.13 | 6.13 | 6.13 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 8.39 | 8.39 | 8.39 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 6.69 | 6.69 | 6.69 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.61 | 7.16 | 7.7 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 6.55 | 6.55 | 6.55 | ChEMBL |