cirtuvivint   Click here for help

GtoPdb Ligand ID: 12620

Synonyms: example 545 [WO2020150552] | SM-08502 | SM08502
Compound class: Synthetic organic
Comment: Cirtuvivint (SM08502) is an orally bioavailable, pan-CLK/DYRK inhibitor [1], that was developed for anti-tumour activity.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 75.9
Molecular weight 427.5
XLogP 0.48
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCN(CC1)C2=CC(=CC=N2)C(=O)NC3=CC4=C(C=CC(=C4)C5=CN(C)N=C5)C=N3
Isomeric SMILES CN1CCN(CC1)C2=NC=CC(=C2)C(=O)NC3=NC=C4C=CC(=CC4=C3)C5=CN(N=C5)C
InChI InChI=1S/C24H25N7O/c1-29-7-9-31(10-8-29)23-13-18(5-6-25-23)24(32)28-22-12-20-11-17(3-4-19(20)14-26-22)21-15-27-30(2)16-21/h3-6,11-16H,7-10H2,1-2H3,(H,26,28,32)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11424 cirtuvivint
Synonyms Click here for help
example 545 [WO2020150552] | SM-08502 | SM08502
Database Links Click here for help
BindingDB Ligand 293424
ChEMBL Ligand CHEMBL4784318
GtoPdb PubChem SID 479821410
PubChem CID 132056570
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UniChem Compound Search for chemical match using the InChIKey BQWWOBKMDWACGC-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BQWWOBKMDWACGC-UHFFFAOYSA-N