Navigation

name Structure Reference Source Properties Activities Metabolism

5-methyl-N-{6-[(2-methylpyridin-3-yl)oxy]pyridin-3-yl}-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

AlkaPlorer ID: AK254745

Synonym: None

IUPAC Name: 5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

Structure

SMILES: CC1=CC2=C(C=C1C(F)(F)F)N(C(=O)NC1=CC=C(OC3=CC=CN=C3C)N=C1)CC2

copy

InChI: InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)

copy

InChIKey: ZETBBVYSBABLHL-UHFFFAOYSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 428.4140000000002

TPSA？: 67.35000000000001

MolLogP？: 5.499140000000003

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Cytochrome P450 1A2 IC50 100000.0 nM 10.1021/jm990388c
Homo sapiens Cytochrome P450 2C19 IC50 100000.0 nM 10.1021/jm990388c
Homo sapiens Cytochrome P450 2C9 IC50 23000.0 nM 10.1021/jm990388c
Homo sapiens Cytochrome P450 2D6 IC50 100000.0 nM 10.1021/jm990388c
Homo sapiens Cytochrome P450 3A4 IC50 100000.0 nM 10.1021/jm990388c
Homo sapiens Dopamine D2 receptor IC50 1000.0 nM 10.1016/j.bmcl.2008.06.064
Homo sapiens Dopamine D3 receptor IC50 1000.0 nM 10.1016/j.bmcl.2008.06.064
Homo sapiens Dopamine D4 receptor IC50 1000.0 nM 10.1016/j.bmcl.2008.06.064
Homo sapiens Histone deacetylase 6 Inhibition -2.08 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 1.44 % 10.6019/CHEMBL4808148
Homo sapiens Serotonin 1a (5-HT1a) receptor IC50 1000.0 nM 10.1016/j.bmcl.2008.06.064
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 32.4 nM 10.1016/j.bmcl.2008.06.064
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki 158.49 nM 10.1016/j.bmcl.2005.08.004
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki 158.49 nM 10.1016/s0960-894x(00)00364-4
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki 158.49 nM 10.1021/jm990388c
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 100.0 nM 10.1016/j.bmcl.2005.08.004
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 100.0 nM 10.1016/s0960-894x(00)00364-4
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 100.0 nM 10.1021/jm990388c
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 0.7 nM 10.1016/j.bmcl.2008.06.064
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 1.0 nM 10.1016/j.bmcl.2005.08.004
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 1.0 nM 10.1016/j.bmcl.2008.06.064
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 1.0 nM 10.1016/s0960-894x(00)00364-4
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 1.0 nM 10.1021/jm990388c
Homo sapiens Serotonin 2 receptors; 5-HT2a & 5-HT2c Selectivity 160.0 None 10.1016/s0960-894x(00)00364-4
Homo sapiens Serotonin 2 receptors; 5-HT2a & 5-HT2c Selectivity 160.0 None 10.1021/jm990388c
Homo sapiens Serotonin 6 (5-HT6) receptor IC50 667.0 nM 10.1016/j.bmcl.2008.06.064
Homo sapiens Serotonin 7 (5-HT7) receptor IC50 1000.0 nM 10.1016/j.bmcl.2008.06.064
Homo sapiens Serotonin receptor (2b and 2c) Selectivity 100.0 None 10.1016/s0960-894x(00)00364-4
Homo sapiens Serotonin receptor (2b and 2c) Selectivity 100.0 None 10.1021/jm990388c
Rattus norvegicus Rattus norvegicus Activity -20.0 % 10.1021/jm0612968
Rattus norvegicus Rattus norvegicus Activity 4.0 % 10.1021/jm0612968
Rattus norvegicus Rattus norvegicus Activity 6.0 % 10.1021/jm0612968
Rattus norvegicus Rattus norvegicus Activity 15.0 % 10.1021/acs.jmedchem.7b00385
Rattus norvegicus Rattus norvegicus Activity 17.0 % 10.1021/jm0612968
Rattus norvegicus Rattus norvegicus ID50 0.7 % 10.1016/j.bmcl.2005.08.004
Rattus norvegicus Rattus norvegicus ID50 0.7 mg.kg-1 10.1021/jm990388c
Rattus norvegicus Rattus norvegicus ID50 1.0 mg.kg-1 10.1016/s0960-894x(00)00364-4
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 12.42 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.26 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 7.47 % 10.21203/rs.3.rs-23951/v1

Metabolism Information