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Chemical structure of PD 168368

GC44584

PD 168368

Also known as (2S)-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide

PD 168368 is a competitive antagonist of neuromedin B (NMB) receptors (Kis = 15-45 nM for rat and human receptors expressed in various cell lines)

ChemicalCAS204066-82-0MW554.6FormulaC31H34N6O4
CAS number
204066-82-0
Molecular weight
554.6
Formula
C31H34N6O4
Solubility
DMF： 10 mg/mL,DMSO： 30 mg/mL,DMSO：PBS(pH 7·2) (1：2)： 0·3 mg/mL
InChIKey
AFDXUTWMFMAQJO-PMERELPUSA-N
Catalogue number
GC44584
Brand
GLPBIO
Computed properties PubChem CID 9937534 · XLogP 5.2 · TPSA 145 Ų · H-bond donors 4
XLogP
5.2
TPSA
145 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
41

SMILES C[C@](CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=CC=CC=N4)NC(=O)NC5=CC=C(C=C5)[N+](=O)[O-]

Computed descriptors from PubChem (CID 9937534), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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