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Compound Detail

CHEMBL96123

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CCCc1ccc(/N=C/c2cc(OC)c(OC)c(OC)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL96123
Phase Preclinical
Structure Type MOL
InChI Key QSIMKGFSGDCQSI-DEDYPNTBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
4.42
ALogP
4
HBA
0
HBD
40.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23NO3
MW 313.40
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
8410995 10.1021/jm00071a012 HL-60 1
8410995 10.1021/jm00071a012 NCI-H522 1
8410995 10.1021/jm00071a012 DMS-273 1
8410995 10.1021/jm00071a012 COLO 205 1
8410995 10.1021/jm00071a012 SF-295 1
8410995 10.1021/jm00071a012 M14 1
8410995 10.1021/jm00071a012 OVCAR-3 1
8410995 10.1021/jm00071a012 CAKI-1 1
8410995 10.1021/jm00071a012 Tubulin 1

Data from ChEMBL 36 via Core Engine