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Compound Detail

CHEMBL4084869

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O=C(NCCCc1ccc(-c2ccc(CCCNC(=O)c3ccccc3Cl)s2)s1)c1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4084869
Phase Preclinical
Structure Type MOL
InChI Key LRFNAXUCKFMIBT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

557.6
MW (Da)
7.51
ALogP
4
HBA
2
HBD
58.2
PSA (Ų)
0.19
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26Cl2N2O2S2
MW 557.57
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.89

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