CHEMBL4065418
SMILES | CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N3)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N2 |
InChIKey | UMNQTBNJKUNGLZ-QUWXLVOKSA-N |
Chemical properties
Hydrogen bond acceptors | 64 |
Hydrogen bond donors | 56 |
Rotatable bonds | 69 |
Molecular weight (Da) | 3979.8 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 4.96 | 4.96 | 4.96 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 5.85 | 5.85 | 5.85 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 5.42 | 5.42 | 5.42 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 4.66 | 4.66 | 4.66 | ChEMBL |
MC3 | MC3R | Mouse | Melanocortin | A | pEC50 | 4.85 | 4.85 | 4.85 | ChEMBL |
MC5 | MC5R | Mouse | Melanocortin | A | pEC50 | 5.28 | 5.28 | 5.28 | ChEMBL |