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Compound Detail

CHEMBL4752174

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NC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4752174
Phase Preclinical
Structure Type MOL
InChI Key SINNKSZURBXUGH-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
2.30
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19NO2
MW 269.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.40

Literature References

PubMed DOI Target Context # Activities
30996788 10.1021/acsmedchemlett.8b00536 MCF7 19
30996788 10.1021/acsmedchemlett.8b00536 SK-BR-3 19
30996788 10.1021/acsmedchemlett.8b00536 ADMET 2
30996788 10.1021/acsmedchemlett.8b00536 Unchecked 1

Data from ChEMBL 36 via Core Engine