PENTAMIDINE


SMILES N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1
InChIKey XDRYMKDFEDOLFX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 340.2

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
α1B ADA1B Rat Adrenoceptors A pKi 6.27 6.27 6.27 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.31 6.31 6.31 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.68 5.68 5.68 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.29 6.29 6.29 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.66 6.66 6.66 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.29 6.29 6.29 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.76 5.76 5.76 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.33 6.33 6.33 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.87 5.87 5.87 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.24 8.24 8.24 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.2 8.2 8.2 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 8.2 8.2 8.2 Drug Central
D3 DRD3 Human Dopamine A pKi 8.23 8.23 8.23 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pIC50 6.01 6.01 6.01 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 5.92 5.92 5.92 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.0 5.2 5.4 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 5.54 5.54 5.54 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.86 5.86 5.86 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 5.8 5.8 5.8 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 5.85 5.85 5.85 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.48 5.48 5.48 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 5.79 5.79 5.79 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.4 5.4 5.4 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 8.23 8.23 8.23 Drug Central