HARIBOSS

Harnessing RIBOnucleic acid – Small molecules Structures


Compound PMZ

Identifiers

  • Canonical SMILES:
    CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(C)=O
  • IUPAC name:
    1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethanone
  • InChi:
    InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3
  • InChiKey:
    NOSIYYJFMPDDSA-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links


6077

CHEMBL39560

DB01614

RNA-SM complexes

PDB code Deposition date Reference publication
1lvj May 28, 2002 Du Zhihua, Lind Kenneth E, James Thomas L. . Structure of TAR RNA Complexed with a Tat-TAR Interaction Nanomolar Inhibitor that Was Identified by Computational Screening Chemistry & Biology

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 326.15 g/mol
HBA 4
HBD 0
HBA + HBD
AlogP 4.44
TPSA 23.55
RB 5

Radar chart