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Compound Detail

CHEMBL3126419

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COC/C=C/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3126419
Phase Preclinical
Structure Type MOL
InChI Key ZLDKZHVYBCAZOX-DPUKZCPMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

499.7
MW (Da)
5.85
ALogP
7
HBA
0
HBD
74.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H37NO5S
MW 499.67
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness 2.11

Literature References

PubMed DOI Target Context # Activities
24359706 10.1016/j.bmc.2013.11.046 Unchecked 2
24359706 10.1016/j.bmc.2013.11.046 NON-PROTEIN TARGET 1
24359706 10.1016/j.bmc.2013.11.046 SK-MEL-2 1
24359706 10.1016/j.bmc.2013.11.046 HeLa 1

Data from ChEMBL 36 via Core Engine