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Compound Detail

CHEMBL3765458

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COc1cc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3765458
Phase Preclinical
Structure Type MOL
InChI Key NLRWKQMNEFGWES-MFKUBSTISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
5.65
ALogP
7
HBA
2
HBD
76.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N3O3S
MW 431.52
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
26822568 10.1016/j.bmc.2016.01.028 Unchecked 1

Data from ChEMBL 36 via Core Engine