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Compound Detail

CHEMBL4075578

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[N-]=[N+]=NCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCCN=[N+]=[N-])s4)s3)s2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4075578
Phase Preclinical
Structure Type MOL
InChI Key SBLKNESSXZSFIZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

524.8
MW (Da)
10.20
ALogP
6
HBA
0
HBD
97.5
PSA (Ų)
0.07
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N6S4
MW 524.77
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
28246043 10.1016/j.ejmech.2017.02.040 Unchecked 1
28246043 10.1016/j.ejmech.2017.02.040 MDCK 1

Data from ChEMBL 36 via Core Engine