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Compound Detail

CHEMBL3342112

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CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3342112
Phase Preclinical
Structure Type MOL
InChI Key SITYSRPOVJMKEM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
5.27
ALogP
7
HBA
1
HBD
91.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N2O4S
MW 446.53
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
25311564 10.1016/j.bmc.2014.09.023 Unchecked 1
25311564 10.1016/j.bmc.2014.09.023 Multidrug resistance-associated protein 1 1
25311564 10.1016/j.bmc.2014.09.023 Broad substrate specificity ATP-binding cassette transporter ABCG2 1

Data from ChEMBL 36 via Core Engine