Details of the Drug

General Information of Drug (ID: DMIGFX6)

Drug Name

2,5-difluorophenol

Synonyms

2,5-Difluorophenol; 2713-31-7; Phenol, 2,5-difluoro-; 1,4-Difluoro-2-hydroxybenzene; Phenol,2,5-difluoro-; INXKVYFOWNAVMU-UHFFFAOYSA-N; 2,5-difluorphenol; MFCD00042501; 2,5-Difluorophenol;2,5-Difluorophenol;; NSC10288; PubChem3464; phenol derivative, 5; 2,5-difluoro-phenol; 2,5-difluoro phenol; ACMC-209gva; 2,5-Difluorophenol 97%; AC1Q78DB; SCHEMBL70273; 2,5-Difluorophenol, 95%; KSC493C1H; CHEMBL261219; AC1L3T96; INXKVYFOWNAVMU-UHFFFAOYSA-; BDBM26191; CTK3J3113; DTXSID90181594; MolPort-000-154-447; ZINC409280; CS-D1368; JRD-0251

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

130.09

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C6H4F2O
IUPAC Name: 2,5-difluorophenol
Canonical SMILES: C1=CC(=C(C=C1F)O)F
InChI: InChI=1S/C6H4F2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChIKey: INXKVYFOWNAVMU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 94952
CAS Number: 2713-31-7
TTD ID: D01BUB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase (CA)	TTUNARX	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Carbonic anhydrase inhibitors: inhibition of mammalian isoforms I-XIV with a series of substituted phenols including paracetamol and salicylic acid. Bioorg Med Chem. 2008 Aug 1;16(15):7424-8.