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Compound Detail

CHEMBL334644

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Cc1cc(N2CCOCC2)n2nc(SCc3ccccc3)nc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL334644
Phase Preclinical
Structure Type MOL
InChI Key QVALDGVOOXYVRX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
2.56
ALogP
7
HBA
0
HBD
55.5
PSA (Ų)
0.68
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 C17H19N5OS
MW 341.44
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.35

Literature References

PubMed DOI Target Context # Activities
6279846 10.1021/jm00346a017 Phosphodiesterase; PDE3 & PDE4 2
27769034 10.1016/j.ejmech.2016.10.021 MGC-803 1
27769034 10.1016/j.ejmech.2016.10.021 ECa-109 cell line 1
27769034 10.1016/j.ejmech.2016.10.021 A549 1
27769034 10.1016/j.ejmech.2016.10.021 PC-9 1
27769034 10.1016/j.ejmech.2016.10.021 Lysine-specific histone demethylase 1A 1

Data from ChEMBL 36 via Core Engine