compound 14a [PMID: 34795866]
SMILES | C(CCC)c1n(c(c(c(=O)n1)C(=O)N1C[C@@H](CC1)c1ncc(cc1)Cl)O)c1c(cccc1OC)OC |
InChIKey | KSQCOKRJNWPXJJ-MRXNPFEDSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 512.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
apelin | APJ | Human | Apelin | A | pEC50 | 9.57 | 9.57 | 9.57 | Guide to Pharmacology |
apelin | APJ | Rat | Apelin | A | pEC50 | 10.46 | 10.46 | 10.46 | Guide to Pharmacology |
apelin | APJ | Human | Apelin | A | pEC50 | 10.57 | 10.57 | 10.57 | ChEMBL |