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Compound Detail

CHEMBL1771734

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COc1ccc(C#Cc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1771734
Phase Preclinical
Structure Type MOL
InChI Key YCWSKPOHJLXLAK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
4.00
ALogP
7
HBA
1
HBD
80.0
PSA (Ų)
0.48
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 C23H21NO5S
MW 423.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.29

Literature References

PubMed DOI Target Context # Activities
21146985 10.1016/j.bmcl.2010.11.083 NON-PROTEIN TARGET 3
21146985 10.1016/j.bmcl.2010.11.083 L1210 1
21146985 10.1016/j.bmcl.2010.11.083 HeLa 1

Data from ChEMBL 36 via Core Engine