CHEMBL316038
SMILES | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |
InChIKey | NTLXAVKHHNPHLL-LJWNLINESA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 11 |
Rotatable bonds | 19 |
Molecular weight (Da) | 701.3 |
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 |
MC3 | MC3R | Human | Melanocortin | A | pKi | 6.2 | 6.2 | 6.2 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pKi | 6.9 | 6.9 | 6.9 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 6.36 | 6.36 | 6.36 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 6.52 | 6.52 | 6.52 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 8.15 | 8.15 | 8.15 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.28 | 7.28 | 7.28 | ChEMBL |