NAT

ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE

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is present as a standalone ligand in 2 entries

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Chemical Component Summary
Name	ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
Synonyms	MONASTROL
Identifiers	ethyl (4S)-4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Formula	C₁₄ H₁₆ N₂ O₃ S
Molecular Weight	292.353
Type	NON-POLYMER
Isomeric SMILES	CCOC(=O)C1=C(NC(=S)N[C@H]1c2cccc(c2)O)C
InChI	InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)/t12-/m0/s1
InChIKey	LOBCDGHHHHGHFA-LBPRGKRZSA-N

Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB04331
Name	Monastrol
Groups	experimental
Synonyms	(S)-monastrol (+)-Monastrol (4S)-Monastrol Monastrol
Categories	Antimitotic Agents Antineoplastic Agents Enzyme Inhibitors Mitosis Modulators Sulfur Compounds
CAS number	254753-54-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Kinesin-like protein KIF11	MASQPNSSAKKKEEKGKNIQVVVRCRPFNLAERKASAHSIVECDPVRKEV...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682