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Compound Detail

CHEMBL4783907

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O=C(NC1CC1)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4783907
Phase Preclinical
Structure Type MOL
InChI Key OPPBCDBRKGFYMQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
3.07
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21NO4
MW 363.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.12

Literature References

PubMed DOI Target Context # Activities
32283297 10.1016/j.ejmech.2020.112281 Lysine-specific histone demethylase 1A 3
32283297 10.1016/j.ejmech.2020.112281 Estrogen receptor 1
32283297 10.1016/j.ejmech.2020.112281 Estrogen receptor beta 1
32283297 10.1016/j.ejmech.2020.112281 Unchecked 1
32283297 10.1016/j.ejmech.2020.112281 MCF7 1

Data from ChEMBL 36 via Core Engine