HTH-01-015   Click here for help

GtoPdb Ligand ID: 8977

Synonyms: HTH01-015
Compound class: Synthetic organic
Comment: HTH-01-015 is a selective inhibitor of the protein kinase, NUAK family SNF1-like kinase 1 (NUAK1) [1].
N.B. compare to WZ4003 which inhibits both NUAK1 and NUAK2. HTH-01-015 and WZ4003 can be used as chemical probes to delineate the biological roles of the NUAK 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 3
Topological polar surface area 94.59
Molecular weight 468.24
XLogP 5.8
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Cc1nc(Nc2cnn(c2)C2CCNCC2)nc2c1n(C)c(=O)c1c(n2C)cc2c(c1)cccc2
Isomeric SMILES Cc1nc(Nc2cnn(c2)C2CCNCC2)nc2c1n(C)c(=O)c1c(n2C)cc2c(c1)cccc2
InChI InChI=1S/C26H28N8O/c1-16-23-24(31-26(29-16)30-19-14-28-34(15-19)20-8-10-27-11-9-20)32(2)22-13-18-7-5-4-6-17(18)12-21(22)25(35)33(23)3/h4-7,12-15,20,27H,8-11H2,1-3H3,(H,29,30,31)
InChI Key CHSDJDLAKKAWCI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
HTH01-015
Database Links Click here for help
CAS Registry No. 1613724-42-7 (source: PubChem)
GtoPdb PubChem SID 310264757
PubChem CID 78357766
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Tocris
HTH 01-015
Cat. No. 5622