chloroquine


SMILES CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC
InChIKey WHTVZRBIWZFKQO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 319.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2C ADA2C Human Adrenoceptors A pKi 5.0 5.0 5.0 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.24 5.24 5.24 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.33 5.33 5.33 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.04 5.04 5.04 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.22 5.22 5.22 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 4.4 4.78 5.2 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.21 5.21 5.21 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 9.4 9.4 9.4 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.27 8.27 8.27 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.26 8.26 8.26 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 8.27 8.27 8.27 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.35 8.35 8.35 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.3 8.3 8.3 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.3 8.3 8.3 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.48 5.48 5.48 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 4.66 4.66 4.66 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.36 5.36 5.36 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 4.5 4.5 4.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MRGPRX1 MRGX1 Human A orphans A pEC50 3.53 3.53 3.53 Guide to Pharmacology
CXCR4 CXCR4 Human Chemokine A pEC50 5.19 5.19 5.19 ChEMBL