BIX 02565   Click here for help

GtoPdb Ligand ID: 8039

Synonyms: BIX-02565 | BIX02565
Compound class: Synthetic organic
Comment: BIX 02565 [1] is an inhibitor that can be used as a tool compound to study the activity of the AGC family protein kinase RSK2. Known off-target effects have been determined against LRRK2, PRKD1/2/3 and RET kinases.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 84.19
Molecular weight 458.24
XLogP 4.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCCn1c(NC(=O)c2ccc3c(c2)n2C(C)CCNC(=O)c2c3)nc2c1cccc2)C
Isomeric SMILES CN(CCCn1c(NC(=O)c2ccc3c(c2)n2[C@H](C)CCNC(=O)c2c3)nc2c1cccc2)C
InChI InChI=1S/C26H30N6O2/c1-17-11-12-27-25(34)23-15-18-9-10-19(16-22(18)32(17)23)24(33)29-26-28-20-7-4-5-8-21(20)31(26)14-6-13-30(2)3/h4-5,7-10,15-17H,6,11-14H2,1-3H3,(H,27,34)(H,28,29,33)/t17-/m1/s1
InChI Key ZHMXXVNQAFCXKK-QGZVFWFLSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(5R)-N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-5-methyl-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
Synonyms Click here for help
BIX-02565 | BIX02565
Database Links Click here for help
CAS Registry No. 1311367-27-7
ChEMBL Ligand CHEMBL1933288
GtoPdb PubChem SID 249565719
PubChem CID 53246941
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