Corin
4-[4-[4-[(1S,2R)-2-aminocyclopropyl]anilino]-4-oxobutyl]-N-(2-aminophenyl)benzamide
Molecular Identity
Corin
4-[4-[4-[(1S,2R)-2-aminocyclopropyl]anilino]-4-oxobutyl]-N-(2-aminophenyl)benzamide
PubChem CID: 134828251
Corin is a dual inhibitor of histone lysine specific demethylase (LSD1) and histone deacetylase (HDAC), with a Ki(inact) of 110 nM for LSD1 and an IC50 of 147 nM for HDAC1.
2D Structure
Properties
C26H28N4O2
Molecular Formula
428.50
Molecular Weight
g/mol
428.2212
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
110
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
4
H-Bond Acceptors
625
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C1N)C2=CC=C(C=C2)NC(=O)CCCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4NIsomeric SMILES
SMILES: C1[C@H]([C@@H]1N)C2=CC=C(C=C2)NC(=O)CCCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4NSynonyms(16)
CORIN1808113-09-8CHEMBL52729674-[4-[4-[(1S,2R)-2-aminocyclopropyl]anilino]-4-oxobutyl]-N-(2-aminophenyl)benzamideCorin?orb1710004CHEBI:232604EX-A3134BDBM50610592AKOS040732857DA-62461MS-27592HY-111048CS-0034060G16463
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Corin
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