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Compound Detail

CHEMBL200978

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CCOC(=O)c1[nH]c2ccc(OC)cc2c1Sc1ccc(OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200978
Phase Preclinical
Structure Type MOL
InChI Key LIIZYUBYQAUCMW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
4.51
ALogP
5
HBA
1
HBD
60.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19NO4S
MW 357.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.73

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