INTERMEDINE
SMILES | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)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]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C |
InChIKey | WHNFPRLDDSXQCL-UAZQEYIDSA-N |
Chemical properties
Hydrogen bond acceptors | None |
Hydrogen bond donors | None |
Rotatable bonds | None |
Molecular weight (Da) |
Drug properties
Molecular type | Protein |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Human | Melanocortin | A | pKi | 8.82 | 8.82 | 8.82 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pKi | 6.82 | 6.82 | 6.82 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 7.34 | 7.34 | 7.34 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 6.59 | 7.34 | 8.07 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC5 | MC5R | Mouse | Melanocortin | A | pEC50 | 5.83 | 9.03 | 9.66 | ChEMBL |
MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 6.5 | 9.2 | 10.4 | ChEMBL |
MC3 | MC3R | Mouse | Melanocortin | A | pEC50 | 5.92 | 8.91 | 9.66 | ChEMBL |
MC4 | MC4R | Mouse | Melanocortin | A | pEC50 | 5.61 | 8.25 | 8.8 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 8.74 | 9.54 | 10.04 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pIC50 | 8.22 | 8.81 | 9.4 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 6.25 | 7.17 | 7.75 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pEC50 | 6.44 | 7.62 | 8.09 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 7.3 | 7.51 | 7.72 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 7.78 | 8.68 | 9.18 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.41 | 7.86 | 8.3 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.81 | 8.23 | 9.68 | ChEMBL |