Bioactive Compound Details

BioIDbio4160
NameASPIRIN
ChEMBL IDCHEMBL25
Molecular FormulaC9H8O4
Molecular Weight180.16
Molecular Weight (Monoisotopic)180.0423
TypeSmall molecule
Max PhasePhase 4
Target IDTar21
Target NameInflammation pathogenesis (IP)
Synonyms8-HOUR BAYER|ACETYL SALICYLATE|ACETYLSALIC ACID|ACETYLSALICYLIC ACID|ACETYLSALICYLIC ACID (WHO-IP)|ACETYLSALICYLICUM ACIDUM|ACIDUM ACETYLSALICYLICUM|ACIDUM ACETYLSALICYLICUM (WHO-IP)|ALKA RAPID|ANADIN ALL NIGHT|ANGETTES 75|ASPIRIN|ASPRO CLR|Acetosalic Acid|Acetylsalicylic Acid|Aspirin|BAY1019036|BAYER EXTRA STRENGTH ASPIRIN FOR MIGRAINE PAIN|BENZOIC ACID, 2-(ACETYLOXY)-|DANAMEP|DISPRIN CV|DISPRIN DIRECT|DURLAZA|ENPRIN|Ecotrin|Equi-Prin|GENCARDIA|LEVIUS|MAX STRGH ASPRO CLR|MEASURIN|MICROPIRIN EC|NSC-27223|NSC-406186|NU-SEALS 300|NU-SEALS 600|NU-SEALS 75|NU-SEALS CARDIO 75|PAYNOCIL|PLATET|PLATET 300|POSTMI 300|POSTMI 75|Salicylic Acid Acetate|VAZALORE
SmilesCC(=O)Oc1ccccc1C(=O)O
InchiInChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
Inchi KeyBSYNRYMUTXBXSQ-UHFFFAOYSA-N
Molecular SpeciesACID
Targets346.0
Bioactivities4037.0
Np Likeness Score0.12
Records Key['ASA', 'Aspirin', 'ASA', 'Aspirin', 'Aspirin', 'Aspirin', 'Aspirin', 'Acetylsalicylic acid', 'ASA', 'Aspirin', 'aspirin', 'ASA', 'aspirin', 'aspirin', 'Acetylsalicylic acid', 'ASA', 'Aspirin', 'Acetylsalicylic acid', 'aspirin', 'Aspirin', 'Aspirin', '58', 'Acetylsalicylic acid', 'Acetylsalicylic acid', 'aspirin', 'Acetylsalicilic acid', 'Aspirin', '19, a', 'Aspirin', 'Acetylsalicylic acid', 'Acetylsalicylic acid', 'Aspirin', 'SID170465039', 'Acetylsalicylic acid', 'Aspirin', 'Aspirin', 'Aspirin', 'ASA', 'aspirin', 'Aspirin', 'ASA', 'Aspirin', 'Aspirin', 'Aspirin', 'ASA', 'Aspirin', 'SID26752858', 'Aspirin', 'ASPIRIN', 'SID90340586', 'Aspirin', '1, ASA', 'aspirin', 'ASA', 'Acetylsalicylic acid', 'aspirin', '6', 'Aspirin', 'aspirin', 'Aspirin', 'Acetylsalicylic acid', 'Aspirin', 'Acetylsalicylic acid', 'Aspirin', 'Aspirin', 'Aspirin', 'ASA', 'aspirin', 'ASP', 'Aspirin', 'Aspirin', 'ASA', 'Aspirin', 'Aspirin', '27, aspirin', 'Aspirin', 'ASA', 'Aspirin', 'Aspirin', 'Aspirin', 'Acetylsalicylic acid', 'Aspirin', '1', 'SID85230910', 'ASA', 'Aspirin', 'Aspirin', 'Aspirin', 'aspirin', 'Aspirin', 'ASP', 'Aspirin', 'Aspirin', 'Aspirin', 'Aspirin', '10', '4', '9a', 'aspirin', 'aspirin', 'acetylsalicylic acid', 'aspirin', '7', 'aspirin', 'aspirin', 'ASA', 'Aspirin', 'Aspirin', 'aspirin', 'acetylsalicylic acid', 'ASA', 'ASA', 'Acetyl Salicyclic Acid', 'aspirin', 'aspirin', 'aspirin', 'acetylsalicylic acid', 'aspirin', 'Aspirin', 'ASA', 'Aspirin', 'aspirin', 'Aspirin', 'ASA', 'Aspirin', 'aspirin', 'aspirin', 'aspirin', 'Aspirin', 'aspirin', '1', 'Acetyl salicylic acid', 'Aspirin', 'Aspirin', 'aspirin', 'aspirin', 'acetylsalicylic acid', 'acetyl salicylic acid', 'aspirin', 'ASA', 'Aspirin', 'Aspirin', '6, aspirin', '21', 'Aspirin', 'aspirin', 'Aspirin', 'aspirin', 'aspirin', 'aspirin', 'Aspirin', 'Aspirin', 'aspirin', 'aspirin', 'AAS', 'aspirin', 'aspirin', 'Aspirin', 'SID26747283', 'aspirin', 'Aspirin', 'Aspirin', 'aspirin', 'aspirin', 'aspirin', 'aspirin', 'aspirin', 'aspirin', 'aspirin', 'acetyl salicylic acid', 'Aspirin', 'aspirin', 'Aspirin', 'Aspirin', 'aspirin', 'Aspirin', 'Aspirin', '1', 'Aspirin', 'Aspirin', 'aspirin', 'ASA', 'acetyl salicylate', 'aspirin', 'Acetylsalicylic Acid', 'aspirin', 'Aspirin', '18 (Aspirin)', 'aspirin', 'acetylsalicylic acid', 'Aspirin', 'Aspirin', 'Aspirin', 'SID144210466', 'Aspirin', 'acetylsalicylic acid', 'Aspirin', 'Aspirin', 'Aspirin', '003', 'Aspirin', 'Aspirin', 'Aspirin', 'Aspirin', 'aspirin', 'Aspirin', 'ASA', 'Aspirin', '1', 'aspirin', 'aspirin', 'acetylsalicylic acid', 'Aspirin', 'A
Records Name['2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', 'Acetylsalicylic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', 'aspirin', 'acetyl salicylic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', 'Acetylsalicylic acid', 'Acetylsalicylic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid (aspirin)', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', 'Aspirin', 'Aspirin', '2-Acetoxy-benzoic acid', 'Acetylsalicylic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', 'SID170465039', 'Acetylsalicylic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', 'Aspirin', 'Acetyl salicylic acid', '2-Acetoxy-benzoic acid', 'Aspirin', '2-Acetoxy-benzoic acid', 'Aspirin', 'Aspirin', '2-Acetoxy-benzoic acid', 'Aspirin', '2-Acetoxy-benzoic acid', 'SID26752858', 'Aspirin', 'Aspirin', 'SID90340586', '2-Acetoxy-benzoic acid', 'Aspirin', '2-Acetoxy-benzoic acid', 'Acetylsalicylic acid', 'Acetylsalicylic acid', '2-acetoxybenzoic acid', 'Acetylsalicylic Acid', 'Aspirin', '2-acetoxybenzoic acid', 'Aspirin', 'Acetylsalicylic acid', 'Aspirin', 'Acetylsalicylic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', '2-acetoxybenzoic acid', '2-acetoxybenzoic acid', '2-Acetoxy-benzoic acid', 'acetyl salicylic acid', 'Acetylsalicylic acid', 'Aspirin', '2-Acetoxy-benzoic acid', '2-acetyloxybenzoic acid', 'Aspirin', 'Acetylsalicylic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', 'Aspirin', '(aspirin)2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', 'SID85230910', 'Aspirin', 'Aspirin', 'acetyl salicylic acid', 'Aspirin', 'aspirin', 'Aspirin', 'Aspirin', 'Acetyl salicylic acid', 'Aspirin', '2-Acetoxy-benzoic acid', '2-Acetoxy-benzoic acid', 'Aspirin', 'aspirin', 'Aspirin', '2-acetoxybenzoic acid', 'aspirin', 'acetylsalicylic acid', 'aspirin', 'Acetyl salicylic acid', 'aspirin', 'aspirin', 'acetyl salicylic acid', 'Aspirin', 'Aspirin', '2-Acetoxy-benzoic acid', 'acetylsalicylic acid', '2-Acetoxy-benzoic acid', 'Aspirin', '2-Acetoxy-benzoic acid', 'aspirin', 'aspirin', '2-acetoxybenzoic acid', '2-acetoxybenzoic acid', '2-acetoxybenzoic acid', 'Aspirin', 'aspirin', 'Aspirin', '2-Acetoxy-benzoic acid', 'Aspirin', 'Acetylsalicylic acid', 'A
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure