Molecule

2-(2-Hydroxyphenyl)-4-thiazolecarboxylic acid; 4ξ,5-Dihydro, amide

AlkaPlorer ID: AK301910

Synonym: 4,5-Dihydro-2-(2-hydroxyphenyl)-4-thiazolecarboxamide, Pulicatin G

IUPAC Name: 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxamide

SMILES: N=C(O)C1CSC(C2=CC=CC=C2O)=N1

InChI: InChI=1S/C10H10N2O2S/c11-9(14)7-5-15-10(12-7)6-3-1-2-4-8(6)13/h1-4,7,13H,5H2,(H2,11,14)

InChIKey: CMXJVCRUSKHTHR-UHFFFAOYSA-N

PubChem CID: 136030693

NPASS: NPC324702

COCONUT: CNP0129664.1

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces sp. CP32	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Molecule Weight: 222.26900000000003

TPSA？: 76.67

MolLogP？: 1.78947

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Histamine H1 receptor	Activity	678.0	nM	10.1021/np100588c
Homo sapiens	Kappa opioid receptor	Activity	3708.0	nM	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	Ki	10000.0	nM	10.1021/acs.jnatprod.7b00317
Homo sapiens	Serotonin 1e (5-HT1e) receptor	Ki	10000.0	nM	10.1021/acs.jnatprod.7b00317
Homo sapiens	Serotonin 2a (5-HT2a) receptor	Ki	10000.0	nM	10.1021/acs.jnatprod.7b00317
Homo sapiens	Serotonin 2b (5-HT2b) receptor	Ki	1260.0	nM	10.1021/np100588c
Homo sapiens	Serotonin 2b (5-HT2b) receptor	Ki	1300.0	nM	10.1021/acs.jnatprod.7b00317
Homo sapiens	Serotonin 2c (5-HT2c) receptor	Ki	10000.0	nM	10.1021/acs.jnatprod.7b00317
Homo sapiens	Serotonin 3a (5-HT3a) receptor	Ki	10000.0	nM	10.1021/acs.jnatprod.7b00317
Homo sapiens	Serotonin 5a (5-HT5a) receptor	Ki	10000.0	nM	10.1021/acs.jnatprod.7b00317
Homo sapiens	Serotonin 6 (5-HT6) receptor	Ki	10000.0	nM	10.1021/acs.jnatprod.7b00317
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