1.0 2016-05-22 03:39:35 UTC 2026-08-21 22:44:13 UTC Delavirdine SmallMolecule Delavirdine is an organic compound with the chemical formula C22H28N6O3S and an average molecular weight of 456.56 g/mol. Delavirdine belongs to the piperazines, a subclass of diazinanes within the organic compounds. It is categorized under the superclass of organoheterocyclic compounds. The compound is found in or released from ten recorded sources. These include healthcare, pharmaceuticals, and veterinary products specifically as antivirals, as well as food, food processing, and cookware used for food preservation. It is also associated with household cleaning and consumer products such as tobacco smoke filters and non-electric simulated smoking devices. Additionally, it is linked to electrical and electronic equipment, including magnets, relays, television systems, radio transmission systems, electrically stimulated smoking devices, and one other source. The recorded route of exposure for this compound is oral. In terms of biological activity, delavirdine interacts with two recorded protein targets. It acts as an inhibitor or modulator of the Gag-Pol polyprotein (gag-pol) and the Reverse transcriptase/RNaseH (pol). C22H28N6O3S 456.561 456.194359482 N-[2-(4-{3-[(propan-2-yl)amino]pyridin-2-yl}piperazine-1-carbonyl)-1H-indol-5-yl]methanesulfonamide delavirdine 136817-59-9 CC(C)NC1=C(N=CC=C1)N1CCN(CC1)C(=O)C1=CC2=C(N1)C=CC(NS(C)(=O)=O)=C2 InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 WHBIGIKBNXZKFE-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Phenylalanine and derivatives Amphetamines and derivatives Aromatic monoterpenoids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Menthane monoterpenoids Monocarboxylic acids and derivatives Monocyclic monoterpenoids N-acyl-alpha amino acids Organic oxides Organonitrogen compounds Organopnictogen compounds Phenylpropanoic acids Secondary carboxylic acid amides 3-phenylpropanoic-acid Amphetamine or derivatives Aromatic homomonocyclic compound Aromatic monoterpenoid Benzenoid Carbonyl group Carboxamide group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Monocyclic monoterpenoid Monoterpenoid N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound P-menthane monoterpenoid Phenylalanine or derivatives Secondary carboxylic acid amide Aromatic homomonocyclic compounds Detected and Not Quantified Delavirdine Action Pathway SMP0000738 Delavirdine HIV Reverse transcriptase Inhibitor Action Pathway SMP0124940 Delavirdine Drug Metabolism Action Pathway SMP0143149 logp 1.02 logp 2.77 ALOGPS logs -3.73 ALOGPS solubility 8.60e-02 g/l ALOGPS logp 1.02 ChemAxon pka_strongest_acidic 9.39 ChemAxon pka_strongest_basic 6.82 ChemAxon iupac N-[2-(4-{3-[(propan-2-yl)amino]pyridin-2-yl}piperazine-1-carbonyl)-1H-indol-5-yl]methanesulfonamide ChemAxon average_mass 456.561 ChemAxon mono_mass 456.194359482 ChemAxon smiles CC(C)NC1=C(N=CC=C1)N1CCN(CC1)C(=O)C1=CC2=C(N1)C=CC(NS(C)(=O)=O)=C2 ChemAxon formula C22H28N6O3S ChemAxon inchi InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 ChemAxon inchikey WHBIGIKBNXZKFE-UHFFFAOYSA-N ChemAxon polar_surface_area 110.43 ChemAxon refractivity 126.64 ChemAxon polarizability 50.01 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722292f5b8> DB00705 5625 BE0004136 BE0002050