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Compound Detail

CHEMBL3342126

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COCCOC(=O)c1c(C)nc2sc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1

Basic Information

ChEMBL ID CHEMBL3342126
Phase Preclinical
Structure Type MOL
InChI Key ZTTCLPPLQXFPBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

626.7
MW (Da)
4.94
ALogP
13
HBA
1
HBD
146.9
PSA (Ų)
0.12
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H34N2O10S
MW 626.68
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -0.62

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