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Compound Detail

CHEMBL4102899

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BrCCCc1ccc(-c2ccc(CCCBr)s2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4102899
Phase Preclinical
Structure Type MOL
InChI Key NZIQSFFCNCSGFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

408.2
MW (Da)
6.13
ALogP
2
HBA
0
HBD
0.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16Br2S2
MW 408.22
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.48

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