Details of the Drug

General Information of Drug (ID: DM8HWS9)

Drug Name

P-Anisic Acid

Synonyms

4-METHOXYBENZOIC ACID; p-Anisic acid; 100-09-4; ANISIC ACID; p-Methoxybenzoic acid; Draconic acid; 4-Anisic acid; Benzoic acid, 4-methoxy-; ANISIC ACID, PARA; para-anisic acid; Anisic acid, p-isomer; 4-methoxy-benzoic acid; Kyselina 4-methoxybenzoova; UNII-4SB6Y7DMM3; P-Methoxy Benzoic Acid; 4-Methoxy benzoic acid; Methoxybenzoic acid; Kyselina 4-methoxybenzoova [Czech]; EINECS 202-818-5; NSC 32742; 1335-08-6; BRN 0508910; 4SB6Y7DMM3; AI3-00893; CHEBI:40813; ZEYHEAKUIGZSGI-UHFFFAOYSA-N; p-methoxybenzoate; p-Anisic acid, 98%

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)

152.15

Topological Polar Surface Area (xlogp)

2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C8H8O3
IUPAC Name: 4-methoxybenzoic acid
Canonical SMILES: COC1=CC=C(C=C1)C(=O)O
InChI: InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey: ZEYHEAKUIGZSGI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 7478
ChEBI ID: CHEBI:40813
CAS Number: 100-09-4
DrugBank ID: DB02795
TTD ID: D07IRQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phospholipase A2 (PLA2G1B)	TT9V5JH	PA21B_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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
Phospholipase A2 (PLA2G1B)	DTT	PLA2G1B	2.65E-01	-0.08	-0.21

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2	Novel antifungal agents, targets or therapeutic strategies for the treatment of invasive fungal diseases: a review of the literature (2005-2009). Rev Iberoam Micol. 2009 Mar 31;26(1):15-22.
3	Clocortolone pivalate: a paired comparison clinical trial of a new topical steroid in eczema/atopic dermatitis. Cutis. 1980 Jan;25(1):96-8.
4	Utilization of epidermal phospholipase A2 inhibition to monitor topical steroid action. Br J Dermatol. 1984 Jul;111 Suppl 27:195-203.
5	Structures from powders: diflorasone diacetate. Steroids. 2009 Jan;74(1):102-11.
6	Successful immunotherapy with T-cell epitope peptides of bee venom phospholipase A2 induces specific T-cell anergy in patients allergic to bee venom. J Allergy Clin Immunol. 1998 Jun;101(6 Pt 1):747-54.
7	Synthesis of benzoyl phenyl benzoates as effective inhibitors for phospholipase A2 and hyaluronidase enzymes. Bioorg Med Chem Lett. 2005 Sep 15;15(18):4100-4.
8	Manoalide, a phospholipase A2 inhibitor, inhibits arachidonate incorporation and turnover in brain phospholipids of the awake rat. Neurochem Res. 1998 Oct;23(10):1251-7.
9	Phospholipase A2, group IVA (cytosolic, calcium-dependent) (PLA2G4A). SciBX 1(41); doi:10.1038/scibx.2008.999. Nov. 13 2008
10	A novel treatment of contact dermatitis by topical application of phospholipase A2 inhibitor: a double-blind placebo-controlled pilot study. Int J Immunopathol Pharmacol. 2007 Jan-Mar;20(1):191-5.