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Compound Detail

CHEMBL494789

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COc1cc(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL494789
Phase Preclinical
Structure Type MOL
InChI Key LCZKQIPOJZQKBG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
4.58
ALogP
7
HBA
0
HBD
87.9
PSA (Ų)
0.33
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 C20H17NO6S
MW 399.42
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
18440234 10.1016/j.bmc.2008.04.026 L1210 1
18440234 10.1016/j.bmc.2008.04.026 FM3A 1
18440234 10.1016/j.bmc.2008.04.026 MOLT-4 1
18440234 10.1016/j.bmc.2008.04.026 CCRF-CEM 1
18440234 10.1016/j.bmc.2008.04.026 HeLa 1

Data from ChEMBL 36 via Core Engine