compound 22a [PMID: 21688779]

Ligand id: 6231

Name: compound 22a [PMID: 21688779]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 94.73
Molecular weight 283.09
XLogP 2.13
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

For advanced searching click here to open chemical structure editor

Similar Ligands
CP 93129
Targets
5-HT1A receptor
indanidine
Targets
α1D-adrenoceptor
UR-PG146
Targets
H1 receptor; H2 receptor
impromidine
Targets
H1 receptor; H2 receptor; H3 receptor; H4 receptor
cimetidine
Targets
H2 receptor; MATE2; Multidrug and toxin extrusion; Organic anion transporter 3; Plasma membrane monoamine transporter
metiamide
Targets
H2 receptor
tiotidine
Targets
H2 receptor
[3H]tiotidine
Targets
H2 receptor
aza-THIP
Targets
GABAA receptor ρ1 subunit; GABAA receptor ρ2 subunit; GABAA receptor ρ3 subunit
HC-056456
Targets
CatSper1
gaboxadol
Targets
GABAA receptor α1 subunit; GABAA receptor α2 subunit; GABAA receptor α3 subunit; GABAA receptor α4 subunit; GABAA receptor α5 subunit; GABAA receptor α6 subunit; GABAA receptor δ subunit; GABAA receptor ρ1 subunit; GABAA receptor ρ2 subunit; GABAA receptor ρ3 subunit; Proton-coupled Amino acid Transporter 1
xanthine
Targets
Sodium-dependent nucleobase transporter
orotic acid
Targets
Urate anion exchanger 1
THPO
Targets
Proton-coupled Amino acid Transporter 1
uric acid
Targets
Glucose transporter 9; Organic anion transporter 1; Organic anion transporter 3; Organic anion transporter 4; Sodium/phosphate cotransporter 1; Urate anion exchanger 1
melanin
MK 0354
Targets
HCA2 receptor
6-n-octylaminouracil
Targets
GPR84
aloisine A
Targets
cyclin dependent kinase 1; cyclin dependent kinase 2; cyclin dependent kinase 5; glycogen synthase kinase 3 alpha
propylthiouracil
Targets
thyroid peroxidase
HTS01037
Targets
fatty acid binding protein 1; fatty acid binding protein 4
tizanidine
LDN-91946
Targets
ubiquitin C-terminal hydrolase L1
compound 27 [PMID: 26938474]
Targets
Branched chain amino acid transaminase 2
PSB-17365
Targets
GPR84
RO3306
Targets
cyclin dependent kinase 1; cyclin dependent kinase 2; cyclin dependent kinase 5