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Compound Detail

CHEMBL2347593

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COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CC1(C(=O)O)CCCN1C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2347593
Phase Preclinical
Structure Type MOL
InChI Key RNWFGBUAEDLZBA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
3.99
ALogP
5
HBA
1
HBD
68.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25NO5
MW 407.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.47

Literature References

PubMed DOI Target Context # Activities
23294831 10.1016/j.bmc.2012.11.039 A549 2
23294831 10.1016/j.bmc.2012.11.039 HCT-116 1
23294831 10.1016/j.bmc.2012.11.039 HCT-15 1
23294831 10.1016/j.bmc.2012.11.039 SNU-638 1
23294831 10.1016/j.bmc.2012.11.039 SK-HEP1 1

Data from ChEMBL 36 via Core Engine