NELFINAVIR


SMILES Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
InChIKey QAGYKUNXZHXKMR-HKWSIXNMSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 9
Molecular weight (Da) 567.3

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
NK2 NK2R Human Tachykinin A pKi 5.01 5.01 5.01 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 4.21 4.21 4.21 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 4.59 4.59 4.59 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.19 5.19 5.19 ChEMBL
δ OPRD Human Opioid A pKi 4.63 4.63 4.63 ChEMBL
A3 AA3R Human Adenosine A pKi 5.08 5.08 5.08 ChEMBL
κ OPRK Human Opioid A pKi 4.84 4.84 4.84 ChEMBL
μ OPRM Human Opioid A pKi 5.23 5.23 5.23 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.38 8.38 8.38 Drug Central
β3 ADRB3 Human Adrenoceptors A pKi 8.34 8.34 8.34 Drug Central
D1 DRD1 Human Dopamine A pKi 8.28 8.28 8.28 Drug Central
δ OPRD Human Opioid A pKi 8.33 8.33 8.33 Drug Central
κ OPRK Human Opioid A pKi 8.31 8.31 8.31 Drug Central
μ OPRM Human Opioid A pKi 8.28 8.28 8.28 Drug Central
NK2 NK2R Human Tachykinin A pKi 8.3 8.3 8.3 Drug Central
A3 AA3R Human Adenosine A pKi 8.29 8.29 8.29 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Human Tachykinin A pIC50 4.53 4.53 4.53 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 4.07 4.07 4.07 ChEMBL
β3 ADRB3 Human Adrenoceptors A pIC50 4.47 4.47 4.47 ChEMBL
D1 DRD1 Human Dopamine A pIC50 4.89 4.89 4.89 ChEMBL
δ OPRD Human Opioid A pIC50 4.18 4.18 4.18 ChEMBL
A3 AA3R Human Adenosine A pIC50 4.83 4.83 4.83 ChEMBL
κ OPRK Human Opioid A pIC50 4.44 4.44 4.44 ChEMBL
μ OPRM Human Opioid A pIC50 4.84 4.84 4.84 ChEMBL