General Information of Drug (ID: DMM37C0)

Drug Name
Resorcinol
Synonyms
resorcinol; 108-46-3; 1,3-Benzenediol; Resorcin; 1,3-Dihydroxybenzene; benzene-1,3-diol; m-Hydroquinone; 3-Hydroxyphenol; m-Hydroxyphenol; m-Dihydroxybenzene; Resorcine; m-Dioxybenzene; m-Benzenediol; Dihydroxybenzol; Resorzin; Developer O; Developer R; Developer RS; Fouramine RS; Fourrine EW; Pelagol RS; Pelagol Grey RS; Resorcinolum; Fourrine 79; Nako TGG; Durafur developer G; Phenol, m-hydroxy-; C.I. Developer 4; Benzene, m-dihydroxy-; C.I. Oxidation Base 31; Rcra waste number U201; Sulforcin; Rezamid; Resorcino; Benzene, 1,3-dihydroxy-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 110.11
Topological Polar Surface Area (xlogp) 0.8
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 14 hours [2]
Chemical Identifiers
Formula
C6H6O2
IUPAC Name
benzene-1,3-diol
Canonical SMILES
C1=CC(=CC(=C1)O)O
InChI
InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
InChIKey
GHMLBKRAJCXXBS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5054
ChEBI ID
CHEBI:27810
CAS Number
108-46-3
DrugBank ID
DB11085
TTD ID
D02DBP
INTEDE ID
DR2304

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase (CA) TTUNARX NOUNIPROTAC Inhibitor [3]
Carbonic anhydrase II (CA-II) TTANPDJ CAH2_HUMAN Inhibitor [3]
Carbonic anhydrase XII (CA-XII) TTSYM0R CAH12_HUMAN Inhibitor [3]
Carbonic anhydrase XIV (CA-XIV) TTEYTKG CAH14_HUMAN Inhibitor [3]
Prostaglandin G/H synthase 1 (COX-1) TT8NGED PGH1_HUMAN Inhibitor [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Glucansucrase (gtf106B)
Main DME
DEWRN24 Q5SBN3_LACRE Substrate [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Prostaglandin G/H synthase 1 (COX-1) DTT PTGS1 3.97E-03 0.16 0.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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2 NIH Toxnet: Resorcinol Profile
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4 Increased infections with beta-blocker use in ischemic stroke, a beta2-receptor mediated process? Neurol Sci. 2017 Jun;38(6):967-974.
5 Biosolids application affects the competitive sorption and lability of cadmium, copper, nickel, lead, and zinc in fluvial and calcareous soils. Environ Geochem Health. 2017 Dec;39(6):1365-1379.
6 Catechol glucosides act as donor/acceptor substrates of glucansucrase enzymes of Lactobacillus reuteri. Appl Microbiol Biotechnol. 2017 Jun;101(11):4495-4505.
7 Exploring the effects of plant odors, from tree species of differing host quality, on the response of Lymantria dispar males to female sex pheromones. J Chem Ecol. 2017 Mar;43(3):243-253.
8 Impact of low-level laser therapy on hyposalivation, salivary pH, and quality of life in head and neck cancer patients post-radiotherapy. Lasers Med Sci. 2017 May;32(4):827-832.
9 Sulfonamide linked neoglycoconjugates--a new class of inhibitors for cancer-associated carbonic anhydrases. J Med Chem. 2010 Apr 8;53(7):2913-26.
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16 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
17 Selective effect of thiazides on the human osteoblast-like cell line MG-63. Kidney Int. 1996 Nov;50(5):1476-82.
18 Inhibition of carbonic anhydrases I and II by N-unsubstituted carbamate esters. J Biol Chem. 1992 Dec 15;267(35):25044-50.
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21 Polyamines inhibit carbonic anhydrases by anchoring to the zinc-coordinated water molecule. J Med Chem. 2010 Aug 12;53(15):5511-22.
22 Carbonic anhydrase inhibitors: Inhibition of the new membrane-associated isoform XV with phenols. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3593-6.
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34 Differential binding mode of diverse cyclooxygenase inhibitors. J Mol Graph Model. 2002 Mar;20(5):359-71.
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