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Compound Detail

CHEMBL4085535

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Cl.c1ccc(-c2c3ccccc3nc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4085535
Phase Preclinical
Structure Type MOL
InChI Key RPRMPIPHXGGPFG-UHFFFAOYSA-N
Parent Compound CHEMBL332209
Active Moiety CHEMBL332209
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
5.06
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.43
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 C19H14ClN
MW 291.78
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness -0.29

Literature References

PubMed DOI Target Context # Activities
28882502 10.1016/j.bmc.2017.07.067 MCF7 3

Data from ChEMBL 36 via Core Engine