RTI-13951-33

Ligand id: 10031

Name: RTI-13951-33

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 77.68
Molecular weight 459.25
XLogP 3.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Comments
RTI-13951-33 is a potent and selective GPR88 agonist that is suitable for in vivo investigations [1]. It is a derivative of compound 2 [PMID: 24793972]. No significant off-target activity of RTI-13951-33 across a range of 38 GPCRs, ion channels, and neurotransmitter transporters has been detected [1].
Database Links
GtoPdb PubChem SID 375973219
Search Google for chemical match using the InChIKey XCHHIKJEGXHKLQ-UJTWYAIMSA-N
Search Google for chemicals with the same backbone XCHHIKJEGXHKLQ
Search UniChem for chemical match using the InChIKey XCHHIKJEGXHKLQ-UJTWYAIMSA-N
Search UniChem for chemicals with the same backbone XCHHIKJEGXHKLQ