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
Logarithm of the Partition Coefficient (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]
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
Phospholipase A2 (PLA2G1B) DTT PLA2G1B 2.65E-01 -0.08 -0.21
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.