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Compound Detail

CHEMBL381320

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O=C(OCc1ccccc1)c1[nH]c2ccccc2c1Sc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL381320
Phase Preclinical
Structure Type MOL
InChI Key MLSSAEMBGUJSDQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
5.68
ALogP
3
HBA
1
HBD
42.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17NO2S
MW 359.45
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.69

Literature References

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

Data from ChEMBL 36 via Core Engine