UCN

7-HYDROXYSTAUROSPORINE

Created:	2003-02-11
Last modified:	2011-06-04

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4 entries where UCN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	62
Chiral Atom Count	5
Bond Count	69
Aromatic Bond Count	24

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Chemical Component Summary
Name	7-HYDROXYSTAUROSPORINE
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₂₈ H₂₆ N₄ O₄
Molecular Weight	482.53
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C5NC(O)c4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC(NC)C8OC)C
SMILES	CACTVS	3.341	CN[CH]1C[CH]2O[C](C)([CH]1OC)n3c4ccccc4c5c6[CH](O)NC(=O)c6c7c8ccccc8n2c7c35
SMILES	OpenEye OEToolkits	1.5.0	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8O)NC)OC
Canonical SMILES	CACTVS	3.341	CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c6[C@@H](O)NC(=O)c6c7c8ccccc8n2c7c35
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)N[C@@H]8O)NC)OC
InChI	InChI	1.03	InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1
InChIKey	InChI	1.03	PBCZSGKMGDDXIJ-HQCWYSJUSA-N

Drug Info: DrugBank

DrugBank ID	DB01933
Name	7-Hydroxystaurosporine
Groups	experimental investigational
Synonyms	7-Hydroxystaurosporine
Categories	Alkaloids Antineoplastic Agents Carbazoles Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Indole Alkaloids Indoles Indolizidines Indolizines Protein Kinase C, antagonists & inhibitors Protein Kinase Inhibitors
CAS number	112953-11-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
3-phosphoinositide-dependent protein kinase 1	MARTTSQLYDAVPIQSSVVLCSCPSPSMVRTQTESSTPPGIPGGSRQGPA...	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