Pulicatin A

AlkaPlorer ID: AK035293

Synonym: None

IUPAC Name: 2-[(4R,5S)-4-(hydroxymethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]phenol

Structure

SMILES: C[C@@H]1SC(C2=CC=CC=C2O)=N[C@@H]1CO

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InChI: InChI=1S/C11H13NO2S/c1-7-9(6-13)12-11(15-7)8-4-2-3-5-10(8)14/h2-5,7,9,13-14H,6H2,1H3/t7-,9+/m0/s1

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InChIKey: ZVWPMYHMXUXIMC-IONNQARKSA-N

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Properties Information

Molecule Weight: 223.297

TPSA: 52.82000000000001

MolLogP: 1.635

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Serotonin 1a (5-HT1a) receptor Activity nan None 10.1021/np100588c
Homo sapiens Serotonin 1b (5-HT1b) receptor Activity nan None 10.1021/np100588c
Homo sapiens Serotonin 1b (5-HT1b) receptor Ki 10000.0 nM 10.1021/acs.jnatprod.7b00317
Homo sapiens Serotonin 1d (5-HT1d) receptor Activity nan None 10.1021/np100588c
Homo sapiens Serotonin 1d (5-HT1d) receptor Ki 10000.0 nM 10.1021/acs.jnatprod.7b00317
Homo sapiens Serotonin 1e (5-HT1e) receptor Activity nan None 10.1021/np100588c
Homo sapiens Serotonin 1e (5-HT1e) receptor Ki 10000.0 nM 10.1021/acs.jnatprod.7b00317
Homo sapiens Serotonin 2a (5-HT2a) receptor Activity nan None 10.1021/np100588c
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki 10000.0 nM 10.1021/acs.jnatprod.7b00317
Homo sapiens Serotonin 2b (5-HT2b) receptor Activity nan None 10.1021/acs.jnatprod.7b00317
Homo sapiens Serotonin 2b (5-HT2b) receptor IC50 30000.0 nM 10.1021/acs.jnatprod.7b00317
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 505.0 nM 10.1021/np100588c
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 510.0 nM 10.1021/acs.jnatprod.7b00317
Homo sapiens Serotonin 2b (5-HT2b) receptor Ratio 50.0 None 10.1021/acs.jnatprod.7b00317
Homo sapiens Serotonin 2c (5-HT2c) receptor Activity nan None 10.1021/np100588c
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 10000.0 nM 10.1021/acs.jnatprod.7b00317
Homo sapiens Serotonin 3a (5-HT3a) receptor Activity nan None 10.1021/np100588c
Homo sapiens Serotonin 3a (5-HT3a) receptor Ki 10000.0 nM 10.1021/acs.jnatprod.7b00317
Homo sapiens Serotonin 4 (5-HT4) receptor Activity nan None 10.1021/np100588c
Homo sapiens Serotonin 5a (5-HT5a) receptor Activity nan None 10.1021/np100588c
Homo sapiens Serotonin 5a (5-HT5a) receptor Ki 10000.0 nM 10.1021/acs.jnatprod.7b00317
Homo sapiens Serotonin 6 (5-HT6) receptor Activity nan None 10.1021/np100588c
Homo sapiens Serotonin 6 (5-HT6) receptor Ki 10000.0 nM 10.1021/acs.jnatprod.7b00317
Homo sapiens Serotonin 7 (5-HT7) receptor Activity nan None 10.1021/np100588c
Homo sapiens Serotonin 7 (5-HT7) receptor Ki 10000.0 nM 10.1021/acs.jnatprod.7b00317
Mus musculus Serotonin 2b (5-HT2b) receptor Activity nan None 10.1021/np100588c
None Unchecked Ratio Ki 20.0 None 10.1021/np100588c

Metabolism Information