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Compound Detail

CHEMBL2386398

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O=c1cc(-c2ccc(-c3ccccc3)cc2)oc2cccc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2386398
Phase Preclinical
Structure Type MOL
InChI Key BBQATSUGRGRBBM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
4.83
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14O3
MW 314.34
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness 0.62

Literature References

PubMed DOI Target Context # Activities
23611768 10.1016/j.bmc.2013.03.060 Androgen receptor 1

Data from ChEMBL 36 via Core Engine