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Compound Detail

CHEMBL418608

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Cc1nc2ccccc2n1Cc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1

Basic Information

ChEMBL ID CHEMBL418608
Phase Preclinical
Structure Type MOL
InChI Key MUXHEFBAOKARLM-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
4.35
ALogP
4
HBA
0
HBD
55.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N3O2S
MW 397.54
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.83

Activity Summary

IC50 3 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 6.52 6.52 300.0 2
Unchecked
CHEMBL612545
IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80006-2 Platelet-activating factor receptor 1
- 10.1016/S0960-894X(01)81205-1 Platelet-activating factor receptor 1
34313432 10.1021/acs.jmedchem.1c00683 Unchecked 1

Data from ChEMBL 36 via Core Engine