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Compound Detail

CHEMBL253592

CAMYLOFIN
🧪 Phase II
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🧪 Phase II
CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1

Basic Information

ChEMBL ID CHEMBL253592
Name CAMYLOFIN
Phase Phase II
Structure Type MOL
InChI Key RYOOHIUJEJZCFT-UHFFFAOYSA-N

Known Names

Anafortan Camilofina Camylofin Camylofine
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
4
Known Names
1
Indications

Molecular Properties

320.5
MW (Da)
3.25
ALogP
4
HBA
1
HBD
41.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Flags

Natural Product

Extended Properties

Molecular Formula C19H32N2O2
MW 320.48
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.85

Indications

Digestive System Diseases

ATC Classification

A03AA03
camylofin
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS

Activity Summary

IC50 2 meas. best 5.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 1
CHEMBL5685
IC50 5.04 5.04 9120.0 1
Unchecked
CHEMBL612545
IC50 4.61 4.61 24771.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.5281/zenodo.13943903 ADMET 89
31158845 10.1038/s41586-019-1291-3 ADMET 55
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
18027916 10.1021/jm070524a Sphingomyelin phosphodiesterase 1
28230985 10.1021/acs.jmedchem.6b01317 Solute carrier family 22 member 1 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1

Data from ChEMBL 36 via Core Engine