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Compound Detail

CHEMBL438858

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CSc1nc(NCCN2CCOCC2)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL438858
Phase Preclinical
Structure Type MOL
InChI Key SRJVGUCGFSOLHN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

443.6
MW (Da)
4.32
ALogP
8
HBA
1
HBD
63.2
PSA (Ų)
0.45
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 C22H29N5OS2
MW 443.64
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.98

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