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Compound Detail

CHEMBL16128

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COc1ccccc1C1CC(=O)c2ccccc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL16128
Phase Preclinical
Structure Type MOL
InChI Key UTQLOQCHWMLWNL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
3.43
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15NO2
MW 253.30
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
9544215 10.1021/jm9707479 KB 1
9544215 10.1021/jm9707479 A549 1
9544215 10.1021/jm9707479 HCT-8 1
9544215 10.1021/jm9707479 CAKI-1 1
9544215 10.1021/jm9707479 MCF7 1
9544215 10.1021/jm9707479 SK-MEL-2 1
9544215 10.1021/jm9707479 Tubulin 1

Data from ChEMBL 36 via Core Engine