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Compound Detail

CHEMBL2105420

TAUROLIDINE
💊 Approved Drug
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💊 Approved Drug
O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2105420
Name TAUROLIDINE
Phase Approved
Structure Type MOL
InChI Key AJKIRUJIDFJUKJ-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

(cyclo)-taurolidine Cyclo-taurolidine Taurolidina Taurolidine Taurolidine component of defencath Taurolidine component of taurolock W-3100M
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
7
Known Names
5
Indications
1
Mechanisms

Molecular Properties

284.4
MW (Da)
-2.67
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2023
Availability Prescription
Chirality Achiral

Flags

Natural Product First in Class

Extended Properties

Molecular Formula C7H16N4O4S2
MW 284.36
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness -0.53

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Cell wall disrupting agent DISRUPTING AGENT Cell wall ✓ ✓

Indications

Infections Central Nervous System Neoplasms Fallopian Tube Neoplasms Ovarian Neoplasms Peritoneal Neoplasms

ATC Classification

B05CA05
taurolidine
Level 1: BLOOD AND BLOOD FORMING ORGANS
Level 2: BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS

Literature References

PubMed DOI Target Context # Activities
37468498 10.1038/s41467-023-40064-9 Androgen receptor 3
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 3
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 3
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 3
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 3
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 Histamine H1 receptor 3
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 3
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 3
37468498 10.1038/s41467-023-40064-9 cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A 2
37468498 10.1038/s41467-023-40064-9 Amine oxidase [flavin-containing] A 2
37468498 10.1038/s41467-023-40064-9 Sodium-dependent dopamine transporter 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 D(3) dopamine receptor 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 2
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2

Data from ChEMBL 36 via Core Engine