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Compound Detail

CHEMBL433094

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COc1c(C)cnc(/C=C/C2(C)Nc3ccccc3S2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL433094
Phase Preclinical
Structure Type MOL
InChI Key BRWDPZFXFRIOSE-MDZDMXLPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
4.65
ALogP
4
HBA
1
HBD
34.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2OS
MW 312.44
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
9873457 10.1016/s0960-894x(98)00334-5 Potassium-transporting ATPase 2

Data from ChEMBL 36 via Core Engine