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Compound Detail

CHEMBL212037

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CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL212037
Phase Preclinical
Structure Type MOL
InChI Key VBVAVBCYMYWNOU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
4.92
ALogP
5
HBA
0
HBD
46.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H18N2O2S
MW 350.44
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
21458277 10.1016/j.bmc.2011.03.010 Unchecked 2
16793260 10.1016/j.bmcl.2006.06.007 U-87 MG 1
16793260 10.1016/j.bmcl.2006.06.007 B16 1
16793260 10.1016/j.bmcl.2006.06.007 HeLa 1
16793260 10.1016/j.bmcl.2006.06.007 DLD-1 1
16793260 10.1016/j.bmcl.2006.06.007 SiHa 1
16793260 10.1016/j.bmcl.2006.06.007 NIH3T3 1
16793260 10.1016/j.bmcl.2006.06.007 HUVEC 1

Data from ChEMBL 36 via Core Engine