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ORL1 antagonist 1

CAT: 0804-HY-112263Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112263Size:1 mg
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Description
ORL1 antagonist 1 is an opioid receptor-like 1 (ORL1) antagonist with an IC50 of 61 nM.
CAS Number
1174985-59-1
UNSPSC
12352005
Target
Opioid Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/ORL1_antagonist_1.html
Solubility
10 mM in DMSO
Smiles
CC1=C(C2=CC=CN=C2)N(C3=NC=CC=C3Cl)N=C1CNC4CCCC4
Molecular Formula
C20H22ClN5
Molecular Weight
367.88
References & Citations
[1]Kobayashi K, et al. Discovery of novel arylpyrazole series as potent and selective opioid receptor-like 1 (ORL1) antagonists. Bioorg Med Chem Lett. 2009 Jul 1;19 (13) :3627-31.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
NOP Receptor/ORL1

Chemical Information

ORL1 antagonist 1
CAS Number1174985-59-1
PubChem CID44143417
IUPAC NameN-[[1-(3-chloro-2-pyridinyl)-4-methyl-5-pyridin-3-ylpyrazol-3-yl]methyl]cyclopentanamine
Molecular FormulaC20H22ClN5
Molecular Weight367.9
XLogP3.4
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity444
SMILES
CC1=C(N(N=C1CNC2CCCC2)C3=C(C=CC=N3)Cl)C4=CN=CC=C4
InChI
InChI=1S/C20H22ClN5/c1-14-18(13-24-16-7-2-3-8-16)25-26(20-17(21)9-5-11-23-20)19(14)15-6-4-10-22-12-15/h4-6,9-12,16,24H,2-3,7-8,13H2,1H3
InChIKey
GZENXSQONSXYLR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ORL1 antagonist 1
CAS: 1174985-59-1
CID: 44143417
Formula: C20H22ClN5
MW: 367.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.9
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass367.1563734
Monoisotopic Mass367.1563734
Topological Polar Surface Area55.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity444
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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