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Compound Detail

CHEMBL1210130

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COc1ccc(/C=C/C(=O)c2cc3ccccc3oc2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1210130
Phase Preclinical
Structure Type MOL
InChI Key UHUUIRMSWGIDOP-DHZHZOJOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
3.70
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.42
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 C19H14O4
MW 306.32
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.08

Literature References

PubMed DOI Target Context # Activities
20576433 10.1016/j.bmcl.2010.05.069 Plasmodium falciparum 3
20576433 10.1016/j.bmcl.2010.05.069 HeLa 1
20800480 10.1016/j.bmcl.2010.08.017 SGC-7901 1
20800480 10.1016/j.bmcl.2010.08.017 PC-3 1
20800480 10.1016/j.bmcl.2010.08.017 A-431 1
20800480 10.1016/j.bmcl.2010.08.017 DNA polymerase I, thermostable 1
20800480 10.1016/j.bmcl.2010.08.017 Telomerase reverse transcriptase 1

Data from ChEMBL 36 via Core Engine