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Compound Detail

CHEMBL1083497

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CN1CCN(CCOc2cccc([C@H]3Oc4cc(O)ccc4C4=C3c3ccc(O)cc3OCC4)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1083497
Phase Preclinical
Structure Type MOL
InChI Key YOSGIAVXRSUEKW-SSEXGKCCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

500.6
MW (Da)
4.55
ALogP
7
HBA
2
HBD
74.6
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H32N2O5
MW 500.60
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.05

Literature References

PubMed DOI Target Context # Activities
19366247 10.1021/jm900146e Estrogen receptor 5
19366247 10.1021/jm900146e Rattus norvegicus 2
19366247 10.1021/jm900146e Estrogen receptor beta 1

Data from ChEMBL 36 via Core Engine