General Information of the Compound
Compound ID
CP0046093
Compound Name
(R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-pyrrolidine-1-carbonyl)-2-methyl-propyl]-2-pentyl-succinamide
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Synonyms
( )-Actinonin
13434-13-4
2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEPTANOIC ACID [1-(2-HYDROXYMETHYL-PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL]-AMIDE
3g5k
3m6p
3m6q
3m6r
3pn4
4dr9
4je7
Actinonin
Actinonine
BB2
Butanediamide, N4-hydroxy-N1-(1-((2-(hydroxymethyl)-1-pyrrolidinyl)carbonyl)-2-methylpropyl)-2-pentyl-, stereoisomer
CHEMBL308333
Octanohydroxamic acid, 3-((1-((2-(hydroxymethyl)-1-pyrrolidinyl)carbonyl)-2-methylpropyl)carbamoyl)-
P18SPA8N0K
SR-01000075681
Spectrum2_000628
Spectrum5_000728
UNII-P18SPA8N0K
actinonin
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Structure
Formula
C19H35N3O5
Molecular Weight
385.505
Canonical SMILES
CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
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InChI
InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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InChIKey
XJLATMLVMSFZBN-VYDXJSESSA-N
CAS
13434-13-4
Physicochemical Property
logP
1.2025
Rotatable Bonds
11
Heavy Atom Count
27
Polar Areas
118.97
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
27

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 443600
SID: 14853851
ChEMBL ID
CHEMBL308333
DrugBank ID
DB04310
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06871, Meprin A subunit beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
Ki = 2000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Actinonin )
Drug Name Actinonin
Target(s)
Staphylococcus Peptide deformylase (Stap-coc def)
Inhibitor