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Compound Detail

CHEMBL1627554

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C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1627554
Phase Preclinical
Structure Type MOL
InChI Key NQZCBSSZEAIPGQ-NLPMXTIOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
3.45
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.78
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 C20H26O4
MW 330.42
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.83

Literature References

PubMed DOI Target Context # Activities
8765520 10.1021/jm9602930 Estrogen receptor 1
8779894 10.1152/ajprenal.1996.270.2.f326 Solute carrier organic anion transporter family member 1A1 1

Data from ChEMBL 36 via Core Engine