QUINACRINE


SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIKey GPKJTRJOBQGKQK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 399.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pKi 5.72 5.72 5.72 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.99 5.99 5.99 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.08 6.08 6.08 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.57 5.57 5.57 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.25 6.25 6.25 ChEMBL
H2 HRH2 Human Histamine A pKi 5.46 5.46 5.46 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.56 6.56 6.56 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.58 6.58 6.58 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.07 6.07 6.07 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.46 6.46 6.46 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.45 6.45 6.45 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.35 6.35 6.35 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.12 6.12 6.12 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.19 8.19 8.19 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.18 8.18 8.18 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.18 8.18 8.18 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.25 8.25 8.25 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
D3 DRD3 Human Dopamine A pKi 8.2 8.2 8.2 Drug Central
H2 HRH2 Human Histamine A pKi 8.26 8.26 8.26 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.24 8.24 8.24 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.19 8.19 8.19 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pIC50 5.47 5.47 5.47 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 5.68 5.68 5.68 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 5.74 5.74 5.74 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 5.43 5.43 5.43 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.41 5.41 5.41 ChEMBL
H2 HRH2 Human Histamine A pIC50 5.45 5.45 5.45 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 5.7 5.7 5.7 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 5.9 5.9 5.9 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.64 5.64 5.64 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 6.02 6.02 6.02 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.83 5.83 5.83 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.88 5.88 5.88 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 5.58 5.58 5.58 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 5.0 5.0 5.0 ChEMBL