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Compound Detail

CHEMBL1242823

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CC(C)=CCC/C=C(\C)Cc1c(OC/C=C(\C)CCC=C(C)C)cc(O)c2c(=O)cc(-c3ccccc3)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1242823
Phase Preclinical
Structure Type MOL
InChI Key USQHIFXIVOMDSO-JSGBIKOVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

526.7
MW (Da)
9.47
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.19
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H42O4
MW 526.72
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness 1.67

Literature References

PubMed DOI Target Context # Activities
20619940 10.1016/j.ejmech.2010.06.025 HeLa 1
20619940 10.1016/j.ejmech.2010.06.025 A549 1
20619940 10.1016/j.ejmech.2010.06.025 HT-29 1

Data from ChEMBL 36 via Core Engine