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Compound Detail

CHEMBL1163854

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O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)Cc1ccccc1)OCC1c2ccccc2-c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1163854
Phase Preclinical
Structure Type MOL
InChI Key LJQAULJXNZCKEJ-NJHZRGNWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

520.6
MW (Da)
4.86
ALogP
4
HBA
3
HBD
87.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H32N2O4
MW 520.63
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.14

Literature References

PubMed DOI Target Context # Activities
20334960 10.1016/j.ejmech.2010.02.035 HepG2 1
20334960 10.1016/j.ejmech.2010.02.035 NON-PROTEIN TARGET 1
20334960 10.1016/j.ejmech.2010.02.035 MCF7 1
20334960 10.1016/j.ejmech.2010.02.035 A549 1
20334960 10.1016/j.ejmech.2010.02.035 Ca9-22 1
20334960 10.1016/j.ejmech.2010.02.035 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine