HYDROXYCHLOROQUINE
SMILES | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 |
InChIKey | XXSMGPRMXLTPCZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 335.2 |
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 |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.63 | 5.63 | 5.63 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 4.14 | 4.14 | 4.14 | ChEMBL |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 4.7 | 4.7 | 4.7 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 4.8 | 4.8 | 4.8 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.26 | 5.26 | 5.26 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.19 | 5.19 | 5.19 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.29 | 5.63 | 5.98 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 4.81 | 4.81 | 4.81 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.32 | 8.32 | 8.32 | Drug Central |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.33 | 8.33 | 8.33 | Drug Central |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.38 | 8.38 | 8.38 | Drug Central |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.32 | 8.32 | 8.32 | Drug Central |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.32 | 5.32 | 5.32 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 5.32 | 5.32 | 5.32 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.53 | 5.53 | 5.53 | ChEMBL |