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Compound Detail

CHEMBL4094874

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Sc1cccc2ccccc12

Basic Information

ChEMBL ID CHEMBL4094874
Phase Preclinical
Structure Type MOL
InChI Key SEXOVMIIVBKGGM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

160.2
MW (Da)
3.13
ALogP
1
HBA
1
HBD
0.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H8S
MW 160.24
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
28191850 10.1021/acs.jmedchem.6b01379 26S proteasome non-ATPase regulatory subunit 14 1
28191850 10.1021/acs.jmedchem.6b01379 HCT-116 1

Data from ChEMBL 36 via Core Engine