cmp5 [PMID: 25742700]   Click here for help

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
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Physico-chemical Properties
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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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey
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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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

References
1. Alinari L, Mahasenan KV, Yan F, Karkhanis V, Chung JH, Smith EM, Quinion C, Smith PL, Kim L, Patton JT et al.. (2015)
Selective inhibition of protein arginine methyltransferase 5 blocks initiation and maintenance of B-cell transformation.
Blood, 125 (16): 2530-43. [PMID:25742700]