CLADRIBINE
SMILES | Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 |
InChIKey | PTOAARAWEBMLNO-KVQBGUIXSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 2 |
Molecular weight (Da) | 285.1 |
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 |
A2A | AA2AR | Rat | Adenosine | A | pKi | 4.69 | 4.69 | 4.69 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 5.13 | 5.13 | 5.13 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 8.29 | 8.29 | 8.29 | Drug Central |
A2A | AA2AR | Rat | Adenosine | A | pKi | 8.33 | 8.33 | 8.33 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
RXFP1 | RXFP1 | Human | Relaxin family peptide | A | Potency | 4.65 | 4.72 | 4.8 | ChEMBL |