GM6

3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE

Created:2003-07-03
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count2
Bond Count57
Aromatic Bond Count10
2D diagram of GM6

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Chemical Component Summary

Name3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE
SynonymsGM6001
Systematic Name (OpenEye OEToolkits)(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-methylamino-1-oxo-propan-2-yl]-2-(2-methylpropyl)butanediamide
FormulaC20 H28 N4 O4
Molecular Weight388.461
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NO)CC(C(=O)NC(C(=O)NC)Cc2c1ccccc1nc2)CC(C)C
SMILESCACTVS3.341CNC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH](CC(C)C)CC(=O)NO
SMILESOpenEye OEToolkits1.5.0CC(C)CC(CC(=O)NO)C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NC
Canonical SMILESCACTVS3.341 CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Canonical SMILESOpenEye OEToolkits1.5.0 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NC
InChIInChI1.03 InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
InChIKeyInChI1.03 NITYDPDXAAFEIT-DYVFJYSZSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB02255 
NameIlomastat
Groups experimental
DescriptionIlomastat is a broad-spectrum matrix metalloproteinase inhibitor.
Synonyms
  • (R)-N(SUP 1)-HYDROXY-N-((S)-2-INDOL-3-YL-1-(METHYLCARBAMOYL)ETHYL)-2-ISOBUTYLSUCCINAMIDE
  • Ilomastat
  • (S-(R*,S*))-N(SUP 4)-HYDROXY-N(SUP 1)-(1H-INDOL-3-YLMETHYL)-2-(METHYLAMINO)-2-OXOETHYL)-2-(2-METHYLOPROPYL)BUTANEDIAMIDE
Categories
  • Amines
  • Amino Acids, Peptides, and Proteins
  • Enzyme Inhibitors
  • Heterocyclic Compounds, Fused-Ring
  • Hydroxy Acids
CAS number142880-36-2

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Interstitial collagenaseMHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQ...unknowninhibitor
Matrix metalloproteinase-14MSPAPRPPRCLLLPLLTLGTALASLGSAQSSSFSPEAWLQQYGYLPPGDL...unknowninhibitor
Neutrophil collagenaseMFSLKTLPFLLLLHVQISKAFPVSSKEKNTKTVQDYLEKFYQLPSNQYQS...unknowninhibitor
72 kDa type IV collagenaseMEALMARGALTGPLRALCLLGCLLSHAAAAPSPIIKFPGDVAPKTDKELA...unknowninhibitor
Stromelysin-1MKSLPILLLLCVAVCSAYPLDGAARGEDTSMNLVQKYLENYYDLKKDVKQ...unknowninhibitor
View More
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

Related Resource References

Resource NameReference
Pharos CHEMBL19611
PubChem 132519
ChEMBL CHEMBL19611
ChEBI CHEBI:137236