Details of the Drug

General Information of Drug (ID: DM8K7C4)

Drug Name
PBMC
Synonyms PBMC; GTPL6370; [(1R)-1-phenylethyl] N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 434.5
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C26H30N2O4
IUPAC Name
[(1R)-1-phenylethyl] N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate
Canonical SMILES
C[C@H](C1=CC=CC=C1)OC(=O)N(CCN)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC
InChI
InChI=1S/C26H30N2O4/c1-20(23-11-7-4-8-12-23)32-26(29)28(16-15-27)18-22-13-14-24(25(17-22)30-2)31-19-21-9-5-3-6-10-21/h3-14,17,20H,15-16,18-19,27H2,1-2H3/t20-/m1/s1
InChIKey
URRBLVUOXIGNQR-HXUWFJFHSA-N
Cross-matching ID
PubChem CID
73755215
TTD ID
D0D8FW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Long transient receptor potential channel 8 (TRPM8) TTXDKTO TRPM8_HUMAN Blocker (channel blocker) [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6370).
2 Pharmacological blockade of TRPM8 ion channels alters cold and cold pain responses in mice. PLoS One. 2011;6(9):e25894.