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Compound Detail

CHEMBL4070167

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C[n+]1c2ccccc2c(-c2ccccc2)c2cc3ccccc3cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4070167
Phase Preclinical
Structure Type MOL
InChI Key BSHMSDPUSBYRLM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
5.64
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18N+
MW 320.42
Aromatic Rings 5
Heavy Atoms 25
NP-Likeness 0.15

Literature References

PubMed DOI Target Context # Activities
28882502 10.1016/j.bmc.2017.07.067 MCF7 2

Data from ChEMBL 36 via Core Engine