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Compound Detail

CHEMBL1200569

CAFFEINE CITRATE
💊 Approved Drug
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💊 Approved Drug
Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)CC(O)(CC(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1200569
Name CAFFEINE CITRATE
Phase Approved
Structure Type MOL
InChI Key RCQXSQPPHJPGOF-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL113
Active Moiety CHEMBL113

Known Names

Cafcit Caffeine citrate Caffeine mixture with citric acid Caffeine, citrated Citrated caffeine Gencebok Peyona Peyona (previously nymusa)
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
8
Known Names
7
Indications
1
Mechanisms

Molecular Properties

194.2
MW (Da)
-1.03
ALogP
6
HBA
0
HBD
61.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1999
Availability Prescription
Chirality Achiral

Routes of Administration

Oral Parenteral

Extended Properties

Molecular Formula C14H18N4O9
MW 386.32
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -1.09

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Adenosine receptor antagonist ANTAGONIST Adenosine receptor ✓ ✓

Indications

Apnea Premature Birth Ileus Pain Retinopathy of Prematurity Brain Ischemia Liver Diseases

Literature References

PubMed DOI Target Context # Activities
30956014 10.1016/j.bmcl.2019.04.002 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine