INCB3619   Click here for help

GtoPdb Ligand ID: 8679

Synonyms: compound 52 [1] | INCB-3619
Compound class: Synthetic organic
Comment: INCB3619 was developed as an ADAM10 inhibitor, but also markedly inhibits ADAM17, MMP12 and MMP15 [1].
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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 99.18
Molecular weight 413.2
XLogP 1.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ONC(=O)C1CC2(CC2)CN(C1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)OC
Isomeric SMILES ONC(=O)[C@H]1CC2(CC2)CN([C@@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)OC
InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1
InChI Key CKZHFOKQZRZCPF-ROUUACIJSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
methyl (5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl3,6-dihydro-2H-pyridine-1-carbonyl)-7-azaspiro[2.5]octane-7-carboxylate
Synonyms Click here for help
compound 52 [1] | INCB-3619
Database Links Click here for help
ChEMBL Ligand CHEMBL434567
GtoPdb PubChem SID 252166879
PubChem CID 11625778
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