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Compound Detail

CHEMBL4075311

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Sc1cccc2ncccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4075311
Phase Preclinical
Structure Type MOL
InChI Key XAXWWYIMGUQNMY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

161.2
MW (Da)
2.52
ALogP
2
HBA
1
HBD
12.9
PSA (Ų)
0.59
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 C9H7NS
MW 161.23
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -1.16

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