General Information of the Compound
| Compound ID |
CP0035501
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| Compound Name |
(6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,2,3,6-tetrahydropyridine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
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| Synonyms |
A disintegrin and metalloprotease inhibitors (cancer), Incyte;ADAM inhibitors (cancer), Incyte
ADAM inhibitors (cancer)
HER-2 sheddase inhibitors (cancer), Incyte
IAI-100
IAI-102
INCB-3531
INCB-3619
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| Structure |
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| Formula |
C22H27N3O5
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| Molecular Weight |
413.474
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| Canonical SMILES |
COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO
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| 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
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| InChIKey |
CKZHFOKQZRZCPF-ROUUACIJSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound