General
Preferred name
Cyclo(Ala-Gly)
Synonyms
P&D ID
PD157965
CAS
4526-77-6
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Cyclo(Ala-Gly), a metabolite of a mangrove endophytic fungus, Penicillium thomi, exhibits cytotoxicity against A549, HepG2 and HT29 cells. The IC50 values range from 9.5 to 18.1 ¦ÌM[1].
PRICE 29
DESCRIPTION Cyclo(Ala-Gly) is a natural cyclic dipeptide from the endophytic fungus Aspergillus fumigatus, with low toxicity (LC50 > 100 ??g/mL) to Artemia salina.
Compound Sets
2
MedChem Express Bioactive Compound Library
HY-75564
Selleckchem Bioactive Compound Library
cyclo-ala-gly
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
128.06
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
0
cLogP
-1.38
TPSA
58.2
Fraction CSP3
0.6
Chiral centers
1.0
Largest ring
6.0
QED
0.42
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Pathway
Metabolic Enzyme/Protease
Source data