MI-1148

Ligand id: 8601

Name: MI-1148

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 19
Hydrogen bond donors 12
Rotatable bonds 26
Topological polar surface area 359.47
Molecular weight 763.47
XLogP 1
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[4-[(diaminomethylideneamino)methyl]phenyl]acetyl]amino]pentanoyl]amino]-3,3-dimethylbutanamide
Synonyms
4-guanidinomethyl-phenylacteyl-Arg-Tle-Arg-4-amidinobenzylamide | para-guanidinomethyl-Phac-R-Tle-R-Amba
Database Links
PubChem CID 91758390
Search Google for chemical match using the InChIKey HXVPWVPTVOOCMV-UNCTUWKVSA-N
Search Google for chemicals with the same backbone HXVPWVPTVOOCMV
Search UniChem for chemical match using the InChIKey HXVPWVPTVOOCMV-UNCTUWKVSA-N
Search UniChem for chemicals with the same backbone HXVPWVPTVOOCMV
SynPHARM 82448 (in complex with furin, paired basic amino acid cleaving enzyme)
Comments
MI-1148 is reported as an inhibitor of furin [1], with potential as an anti-infective agent active against avian influenza and canine distemper viruses. MI-1148 is structurally related to phenylacetyl-Arg-Val-Arg-4-amidinobenzylamide.