MS023

Ligand id: 8955

Name: MS023

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 54.28
Molecular weight 287.2
XLogP 1.99
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2-aminoethyl)(methyl)({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)amine
Database Links
PubChem CID 92136227
RCSB PDB Ligand 5L6
Search Google for chemical match using the InChIKey FMTVWAGUJRUAKE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FMTVWAGUJRUAKE
Search UniChem for chemical match using the InChIKey FMTVWAGUJRUAKE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FMTVWAGUJRUAKE
SynPHARM 83232 (in complex with protein arginine methyltransferase 6)
83231 (in complex with protein arginine methyltransferase 6)
Comments
MS023 is an inhibitor of type I arginine methyltransferases (PRMTs) [1-2]. Type I PRMTs include PRMT1, 3, 4, 6 and 8. These enzymes catalyze mono- and asymmetric dimethylation of arginine residues. MS023 is being made available from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection.