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Compound Detail

CHEMBL3115408

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Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)OCc3ccccc3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3115408
Phase Preclinical
Structure Type MOL
InChI Key USLFDYQLABGSQH-IGKIAQTJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

586.6
MW (Da)
3.73
ALogP
6
HBA
4
HBD
154.1
PSA (Ų)
0.25
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H34N4O7
MW 586.65
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
24412498 10.1016/j.ejmech.2013.12.009 Integrin alpha-4/beta-1 4
24412498 10.1016/j.ejmech.2013.12.009 Jurkat 1
24412498 10.1016/j.ejmech.2013.12.009 SK-MEL-24 1

Data from ChEMBL 36 via Core Engine