SR7826   

GtoPdb Ligand ID: 9840

Synonyms: SR 7826
Compound class: Synthetic organic
Comment: Potent and selective LIMK inhibitor.
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 94.14
Molecular weight 387.17
XLogP 2.71
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCCN(c1ccccc1)C(=O)Nc1ccc(cc1)c1ncnc2c1c(C)c[nH]2
Isomeric SMILES OCCN(c1ccccc1)C(=O)Nc1ccc(cc1)c1ncnc2c1c(C)c[nH]2
InChI InChI=1S/C22H21N5O2/c1-15-13-23-21-19(15)20(24-14-25-21)16-7-9-17(10-8-16)26-22(29)27(11-12-28)18-5-3-2-4-6-18/h2-10,13-14,28H,11-12H2,1H3,(H,26,29)(H,23,24,25)
InChI Key WQAGVQVBDHOHRD-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1-phenylurea
Synonyms
SR 7826
Comments
Potent and selective LIMK inhibitor.
Database Links
GtoPdb PubChem SID 363894134
PubChem CID 45381385
Search Google for chemical match using the InChIKey WQAGVQVBDHOHRD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WQAGVQVBDHOHRD
Search UniChem for chemical match using the InChIKey WQAGVQVBDHOHRD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WQAGVQVBDHOHRD

Product suppliers

View disclaimer

Tocris
SR 7826
Cat. No. 5626