GI254023X

Ligand id: 9687

Name: GI254023X

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 98.74
Molecular weight 391.25
XLogP 2.34
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-N-[(1S)-2,2-Dimethyl-1-[(methylamino)carbonyl]propyl]-2-[(1S)-1-(N-hydroxyformamido)ethyl]-5-phenylpentanamide
Synonyms
GI 254023X | GI-254023X
Comments
GI254023X is an ADAM10-selective inhibitor [2]. It can be used as a pharmacological tool to interrogate the relevance of ADAM10 sheddase activity in biological assays.
Database Links
CAS Registry No. 260264-93-5 (source: PubChem)
ChEMBL Ligand CHEMBL1229516
GtoPdb PubChem SID 348353646
PubChem CID 9952396
RCSB PDB Ligand 023
Search Google for chemical match using the InChIKey GHVMTHKJUAOZJP-CGTJXYLNSA-N
Search Google for chemicals with the same backbone GHVMTHKJUAOZJP
Search UniChem for chemical match using the InChIKey GHVMTHKJUAOZJP-CGTJXYLNSA-N
Search UniChem for chemicals with the same backbone GHVMTHKJUAOZJP

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Tocris
GI 254023X
Cat. No. 3995