cmp5 [PMID: 25742700]   

GtoPdb Ligand ID: 8288

Synonyms: ChemBridge ID 9033823 [1]
Compound class: Synthetic organic
Comment: cmp5 is reported as a novel, first-in-class, selective small molecule inhibitor of PRMT5 [1], an arginine methyltransferase (RMT) of the histone methyltransferase (HMT) family.
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 29.85
Molecular weight 315.17
XLogP 4.23
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCn1c2ccc(cc2c2c1cccc2)CNCc1cccnc1
Isomeric SMILES CCn1c2ccc(cc2c2c1cccc2)CNCc1cccnc1
InChI InChI=1S/C21H21N3/c1-2-24-20-8-4-3-7-18(20)19-12-16(9-10-21(19)24)13-23-15-17-6-5-11-22-14-17/h3-12,14,23H,2,13,15H2,1H3
InChI Key GAVUWQFIRGBDHN-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine
Synonyms
ChemBridge ID 9033823 [1]
Database Links
GtoPdb PubChem SID 252166500
PubChem CID 4722575
Search Google for chemical match using the InChIKey GAVUWQFIRGBDHN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GAVUWQFIRGBDHN
Search UniChem for chemical match using the InChIKey GAVUWQFIRGBDHN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GAVUWQFIRGBDHN