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Compound Detail

CHEMBL4059572

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NCCCCc1ccc(CCCCN)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4059572
Phase Preclinical
Structure Type MOL
InChI Key IGJBDWWXPLFLKK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

226.4
MW (Da)
2.31
ALogP
3
HBA
2
HBD
52.0
PSA (Ų)
0.67
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 C12H22N2S
MW 226.39
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.43

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