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Compound Detail

CHEMBL201898

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CCOC(=O)c1[nH]c2ccccc2c1Sc1ccc(OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL201898
Phase Preclinical
Structure Type MOL
InChI Key TXRBAGDSTLGUKX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
4.50
ALogP
4
HBA
1
HBD
51.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17NO3S
MW 327.41
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
16451061 10.1021/jm050809s Tubulin 1
16451061 10.1021/jm050809s MCF7 1
16451061 10.1021/jm050809s SCLC 1

Data from ChEMBL 36 via Core Engine