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Compound Detail

CHEMBL497566

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CCCN1CCc2c(sc(N)c2C(=O)c2cc(OC)c(OC)c(OC)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL497566
Phase Preclinical
Structure Type MOL
InChI Key LEJLLKVFMAJRLG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
3.36
ALogP
7
HBA
1
HBD
74.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N2O4S
MW 390.51
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
18725179 10.1016/j.bmcl.2008.08.006 CCRF-CEM 1
18725179 10.1016/j.bmcl.2008.08.006 NON-PROTEIN TARGET 1
18725179 10.1016/j.bmcl.2008.08.006 FM3A 1
18725179 10.1016/j.bmcl.2008.08.006 L1210 1

Data from ChEMBL 36 via Core Engine