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Compound Detail

CHEMBL3126422

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CC(/C=C/CCCO)=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 CHEMBL3126422
Phase Preclinical
Structure Type MOL
InChI Key OCJWFDAQBPHMEV-LPHBSVOKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

487.7
MW (Da)
5.42
ALogP
7
HBA
1
HBD
85.7
PSA (Ų)
0.34
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 C27H37NO5S
MW 487.66
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 2.13

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 SK-MEL-2 1
24359706 10.1016/j.bmc.2013.11.046 HeLa 1
24359706 10.1016/j.bmc.2013.11.046 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine