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Compound Detail

CHEMBL1673332

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O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1673332
Phase Preclinical
Structure Type MOL
InChI Key WNDVVOWKOAJRIY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.5
MW (Da)
2.93
ALogP
3
HBA
2
HBD
78.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25N3O3S
MW 351.47
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -2.02

Literature References

PubMed DOI Target Context # Activities
20625148 10.1128/aac.00313-10 ADMET 2
20625148 10.1128/aac.00313-10 Cyclic nucleotide specific phosphodiesterase 1

Data from ChEMBL 36 via Core Engine