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Compound Detail

CHEMBL3787130

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C=C(C)Cn1c(SCC(=O)c2cccs2)nc2sc3ccccc3c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3787130
Phase Preclinical
Structure Type MOL
InChI Key IZCPEVPXKLOONZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

412.6
MW (Da)
5.22
ALogP
7
HBA
0
HBD
52.0
PSA (Ų)
0.19
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N2O2S3
MW 412.56
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -2.38

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