UCB35625
SMILES | CC[N+]1(CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2c1cc(Cl)cc2)CC1CCCCCC1 |
InChIKey | ZTXGBIXSMSZDOC-UHFFFAOYSA-O |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 515.2 |
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 | 8.34 | 8.34 | 8.34 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 7.88 | 7.88 | 7.88 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 8.37 | 8.38 | 8.39 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
MC1 | MSHR | Human | Melanocortin | A | pKi | 8.41 | 8.41 | 8.41 | Guide to Pharmacology |
MC3 | MC3R | Human | Melanocortin | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
MC3 | MC3R | Human | Melanocortin | A | pKi | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |
MC4 | MC4R | Human | Melanocortin | A | pKd | 8.06 | 8.06 | 8.06 | Drug Central |
MC4 | MC4R | Human | Melanocortin | A | pKi | 8.68 | 8.68 | 8.68 | Guide to Pharmacology |
MC5 | MC5R | Human | Melanocortin | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
MC5 | MC5R | Human | Melanocortin | A | pKi | 6.37 | 6.37 | 6.37 | Guide to Pharmacology |
MC4 | MC4R | Rat | Melanocortin | A | pKi | 8.57 | 8.57 | 8.57 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 9.8 | 9.8 | 9.8 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 5.72 | 5.72 | 5.73 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 9.82 | 9.82 | 9.82 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 9.4 | 9.41 | 9.41 | ChEMBL |