dapolsertib   Click here for help

GtoPdb Ligand ID: 13204

Synonyms: Example 26A [WO2014096388] | MEN1703 | SEL-24 | SEL24
Compound class: Synthetic organic
Comment: The chemical structure for dapolsertib was obtained from proposed INN list 130 (Feb. 2024). This matched to clinical lead SEL-24 (MEN1703) via PubChem, and to compound 26A in patent WO2014096388 [1]. The compound is proposed as dual pan-PIM/FLT3 kinase inhibitor for the treatment of acute myeloid leukemia.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 70.77
Molecular weight 446.14
XLogP 3.73
No. Lipinski's rules broken 0
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Canonical SMILES CC(C)N1C2=CC(=C(C(=C2N=C1C3CCNCC3)[N+](=O)[O-])Br)Br
Isomeric SMILES CC(C)N1C2=CC(=C(C(=C2N=C1C3CCNCC3)[N+](=O)[O-])Br)Br
InChI InChI=1S/C15H18Br2N4O2/c1-8(2)20-11-7-10(16)12(17)14(21(22)23)13(11)19-15(20)9-3-5-18-6-4-9/h7-9,18H,3-6H2,1-2H3
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
12910 dapolsertib
Synonyms Click here for help
Example 26A [WO2014096388] | MEN1703 | SEL-24 | SEL24
Database Links Click here for help
CAS Registry No. 1616359-00-2 (source: WHO INN record)
ChEMBL Ligand CHEMBL4467168
GtoPdb PubChem SID 491299986
PubChem CID 76286825
Search Google for chemical match using the InChIKey UOUBCIJIWDLRGM-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey UOUBCIJIWDLRGM-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey UOUBCIJIWDLRGM-UHFFFAOYSA-N