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Compound Detail

CHEMBL3785251

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C=C(C)Cn1c(SCC(=O)c2cccs2)nc2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3785251
Phase Preclinical
Structure Type MOL
InChI Key ITFKMMIYNRCNKH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

356.5
MW (Da)
4.01
ALogP
6
HBA
0
HBD
52.0
PSA (Ų)
0.29
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O2S2
MW 356.47
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.19

Literature References

PubMed DOI Target Context # Activities
26976215 10.1016/j.bmcl.2016.03.013 ADMET 1
26976215 10.1016/j.bmcl.2016.03.013 Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine