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Compound Detail

CHEMBL4086466

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NCCCc1ccc(-c2ccc(CCCN)s2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4086466
Phase Preclinical
Structure Type MOL
InChI Key FLSLOXDZARZQDE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

280.5
MW (Da)
3.26
ALogP
4
HBA
2
HBD
52.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20N2S2
MW 280.46
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.28

Literature References

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

Data from ChEMBL 36 via Core Engine