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Compound Detail

CHEMBL4083010

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Cc1ccc2cccc(S)c2n1

Basic Information

ChEMBL ID CHEMBL4083010
Phase Preclinical
Structure Type MOL
InChI Key DUIAZPVQMPQZSK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

175.3
MW (Da)
2.83
ALogP
2
HBA
1
HBD
12.9
PSA (Ų)
0.61
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 C10H9NS
MW 175.26
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -1.41

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
28191850 10.1021/acs.jmedchem.6b01379 COP9 signalosome complex subunit 5 1
28191850 10.1021/acs.jmedchem.6b01379 Carbonic anhydrase 2 1
28191850 10.1021/acs.jmedchem.6b01379 Polyunsaturated fatty acid 5-lipoxygenase 1
28191850 10.1021/acs.jmedchem.6b01379 72 kDa type IV collagenase 1
28191850 10.1021/acs.jmedchem.6b01379 Histone deacetylase 6 1
28191850 10.1021/acs.jmedchem.6b01379 Histone deacetylase 1 1

Data from ChEMBL 36 via Core Engine