PFC

PHENYLFERRICROCIN-IRON

Created: 1999-07-12
Last modified:  2023-09-23

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Chemical Details

Formal Charge0
Atom Count104
Chiral Atom Count7
Bond Count110
Aromatic Bond Count6
2D diagram of PFC
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Chemical Component Summary

NamePHENYLFERRICROCIN-IRON
FormulaC34 H48 Fe N9 O12
Molecular Weight830.643
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC(=O)[N]1CCC[CH]2NC(=O)CNC(=O)[CH](Cc3ccccc3)NC(=O)CNC(=O)[CH]4CCC[N](O[Fe](O1)O[N](CCC[CH](NC2=O)C(=O)N4)C(=O)C)C(=O)C
SMILESOpenEye OEToolkits2.0.7CC1=O[Fe]2345O=C(N(O2)CCCC6C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(CCCN1O3)C(=O)NC(CCCN(O4)C(=O5)C)C(=O)N6)Cc7ccccc7)C
Canonical SMILESCACTVS3.385 CC(=O)[N@@]1CCC[C@@H]2NC(=O)CNC(=O)[C@@H](Cc3ccccc3)NC(=O)CNC(=O)[C@@H]4CCC[N@@](O[Fe](O1)O[N@](CCC[C@H](NC2=O)C(=O)N4)C(=O)C)C(=O)C
Canonical SMILESOpenEye OEToolkits2.0.7 CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)Cc7ccccc7)C
InChIInChI1.06 InChI=1S/C34H48N9O12.Fe/c1-21(44)41(53)15-7-12-25-31(49)35-20-30(48)38-28(18-24-10-5-4-6-11-24)32(50)36-19-29(47)37-26(13-8-16-42(54)22(2)45)33(51)40-27(34(52)39-25)14-9-17-43(55)23(3)46;/h4-6,10-11,25-28H,7-9,12-20H2,1-3H3,(H,35,49)(H,36,50)(H,37,47)(H,38,48)(H,39,52)(H,40,51);/q-3;+3/t25-,26-,27-,28+;/m0./s1
InChIKeyInChI1.06 CYHYTMBFIKKRSE-OVSNALSBSA-N

Drug Info: DrugBank

DrugBank IDDB02626 
NamePhenylferricrocin-iron
Groups experimental
SynonymsPhenylferricrocin-iron

Drug Targets

NameTarget SequencePharmacological ActionActions
Ferrichrome-iron receptorMARSKTAQPKHSLRKIAVVVATAVSGMSVYAQAAVEPKEDTITVTAAPAP...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