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Compound Detail

CHEMBL58203

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COc1c(C)cnc(CCC2(C)Nc3cc(Cl)ccc3S2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL58203
Phase Preclinical
Structure Type MOL
InChI Key NQMGUDLJJLXYEB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.9
MW (Da)
5.23
ALogP
4
HBA
1
HBD
34.1
PSA (Ų)
0.82
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21ClN2OS
MW 348.90
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.50

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