WP1066   Click here for help

GtoPdb Ligand ID: 7972

Synonyms: WP 1066 | WP-1066
Compound class: Synthetic organic
Comment: WP1066 is a novel inhibitor of STAT3 and JAK2 [7]. It is orally bioavailable, and has demonstrated antineoplastic and immunomodulatory activities in vitro and in vivo [1-3,6]. WP1066 has also been reported as a channel blocker at the KV1.3 voltage-gated potassium channel (KCNA3) that preferentially interacts with open channels [5].
An analogue of WP1066, WP1220 (structure undisclosed, Nov. 2022), is another clinical lead STAT3 inhibitor. WP1220 is in development for topical application as a therapy for the dermatological condition mycosis fungoides, the most common type of cutaneous T-cell lymphoma (CTCL).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 65.78
Molecular weight 355.03
XLogP 3.3
No. Lipinski's rules broken 0
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Canonical SMILES N#CC(=Cc1cccc(n1)Br)C(=O)NC(c1ccccc1)C
Isomeric SMILES N#C/C(=C\c1cccc(n1)Br)/C(=O)N[C@H](c1ccccc1)C
InChI InChI=1S/C17H14BrN3O/c1-12(13-6-3-2-4-7-13)20-17(22)14(11-19)10-15-8-5-9-16(18)21-15/h2-10,12H,1H3,(H,20,22)/b14-10+/t12-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
WP 1066 | WP-1066
Database Links Click here for help
CAS Registry No. 857064-38-1
ChEMBL Ligand CHEMBL1923234
GtoPdb PubChem SID 249565655
PubChem CID 11210478
Search Google for chemical match using the InChIKey VFUAJMPDXIRPKO-LQELWAHVSA-N
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UniChem Compound Search for chemical match using the InChIKey VFUAJMPDXIRPKO-LQELWAHVSA-N
UniChem Connectivity Search for chemical match using the InChIKey VFUAJMPDXIRPKO-LQELWAHVSA-N