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Compound Detail

CHEMBL1573564

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O=C1C2=C(SCCS2)C(=O)N1CCCO

Basic Information

ChEMBL ID CHEMBL1573564
Phase Preclinical
Structure Type MOL
InChI Key MNGFJSCJWNJLBK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
0.43
ALogP
5
HBA
1
HBD
57.6
PSA (Ų)
0.73
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 C9H11NO3S2
MW 245.32
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness -0.70

Activity Summary

IC50 2 meas. best 5.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 5.39 5.39 4074.0 1
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.55 4.55 28000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine