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Compound Detail

CHEMBL234076

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CCCCc1nc2sc3c(NCCN(C)C)nc(SC)nc3c2c2c1CCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL234076
Phase Preclinical
Structure Type MOL
InChI Key OADRGDFOTLDEFA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

415.6
MW (Da)
4.77
ALogP
7
HBA
1
HBD
53.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29N5S2
MW 415.63
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.72

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17350255 10.1016/j.bmcl.2007.02.056 Unchecked 1
17350255 10.1016/j.bmcl.2007.02.056 Escherichia coli 1

Data from ChEMBL 36 via Core Engine