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Compound Detail

CHEMBL395285

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CCN1CCN(c2nc(SC)nc3c2sc2nc(C(C)C)c4c(c23)CCC4)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL395285
Phase Preclinical
Structure Type MOL
InChI Key LPJDMLUASCJHJH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.6
MW (Da)
4.72
ALogP
7
HBA
0
HBD
45.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N5S2
MW 427.64
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.84

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