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Compound Detail

CHEMBL487314

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CCn1ccc2cc(C(O)c3cc(OC)c(OC)c(OC)c3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL487314
Phase Preclinical
Structure Type MOL
InChI Key KNZMHOYGFRZDBM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
3.77
ALogP
5
HBA
1
HBD
52.9
PSA (Ų)
0.74
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 C20H23NO4
MW 341.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
18502133 10.1016/j.bmc.2008.04.054 Unchecked 1
18502133 10.1016/j.bmc.2008.04.054 HeLa 1
18502133 10.1016/j.bmc.2008.04.054 HT-29 1
18502133 10.1016/j.bmc.2008.04.054 A549 1
18502133 10.1016/j.bmc.2008.04.054 HL-60 1
19647439 10.1016/j.bmc.2009.07.012 Unchecked 1
19647439 10.1016/j.bmc.2009.07.012 HT-29 1
19647439 10.1016/j.bmc.2009.07.012 HeLa 1
19647439 10.1016/j.bmc.2009.07.012 A549 1
19647439 10.1016/j.bmc.2009.07.012 HL-60 1

Data from ChEMBL 36 via Core Engine