Details of the Drug

General Information of Drug (ID: DMKE5QH)

Drug Name

WZB-117

Synonyms

WZB117; 1223397-11-2; 3-Fluoro-1,2-phenylene bis(3-hydroxybenzoate); CHEMBL3092944; WZB 117; [3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate; WBZ117; SCHEMBL19183300; AOB5670; BCP24665; EX-A1492; BDBM50444088; NSC750937; s7927; AKOS032945159; ZINC103244507; CCG-268262; NSC-750937; AC-32898; AK685810; BS-14666; HY-19331; WZB-117, >=98% (HPLC); CS-0015243; Bis(3-hydroxybenzoic acid)3-fluoro-1,2-phenylene ester; Benzoic acid, 3-hydroxy-, 1,1'-(3-fluoro-1,2-phenylene) ester

Indication

Disease Entry	ICD 11	Status	REF
Skin fibrosis	EM0Z	Preclinical	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

368.3

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C20H13FO6
IUPAC Name: [3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate
Canonical SMILES: C1=CC(=CC(=C1)O)C(=O)OC2=C(C(=CC=C2)F)OC(=O)C3=CC(=CC=C3)O
InChI: InChI=1S/C20H13FO6/c21-16-8-3-9-17(26-19(24)12-4-1-6-14(22)10-12)18(16)27-20(25)13-5-2-7-15(23)11-13/h1-11,22-23H
InChIKey: FRSWCCBXIHFKKY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 46830365
TTD ID: DCL8J5

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
HepG2 glucose transporter (SLC2A1)	TT79TKF	GTR1_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Targeting metabolic dysregulation for fibrosis therapy. Nat Rev Drug Discov. 2020 Jan;19(1):57-75.
2	Quercetin inhibits glucose transport by binding to an exofacial site on GLUT1. Biochimie. 2018 Aug;151:107-114.