MCL0129
SMILES | COc1ccc2c(c1CCCCN1CCN(CC1)C[C@H](c1ccc(cc1)F)N1CCN(CC1)C(C)C)cccc2 |
InChIKey | SLGLZEJKMBCODK-MGBGTMOVSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 11 |
Molecular weight (Da) | 546.4 |
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 |
P2Y2 | P2RY2 | Human | P2Y | A | pEC50 | 6.7 | 6.7 | 6.7 | Guide to Pharmacology |
P2Y4 | P2RY4 | Human | P2Y | A | pEC50 | 6.1 | 6.1 | 6.1 | Guide to Pharmacology |
P2Y4 | P2RY4 | Human | P2Y | A | pEC50 | 6.1 | 6.47 | 6.85 | ChEMBL |
P2Y6 | P2RY6 | Human | P2Y | A | pEC50 | 6.02 | 6.02 | 6.02 | ChEMBL |
P2Y2 | P2RY2 | Human | P2Y | A | pEC50 | 6.57 | 6.7 | 6.85 | ChEMBL |