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Compound Detail

CHEMBL3613981

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O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3613981
Phase Preclinical
Structure Type MOL
InChI Key RQCSCGRWUBKTII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.6
MW (Da)
2.95
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N2O4S
MW 438.55
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
26314925 10.1016/j.bmc.2015.07.060 Phosphatidylcholine:ceramide cholinephosphotransferase 1 1

Data from ChEMBL 36 via Core Engine