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Compound Detail

CHEMBL136473

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Cc1cc(=O)oc2c(O)c3oc4c(c3cc12)CCCC4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL136473
Phase Preclinical
Structure Type MOL
InChI Key BIITWWFAAWTSBO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
3.43
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14O4
MW 270.28
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness 0.24

Literature References

PubMed DOI Target Context # Activities
10543884 10.1021/jm9910829 HeLa 2
10543884 10.1021/jm9910829 HL-60 2
10543884 10.1021/jm9910829 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine