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Compound Detail

CHEMBL1222023

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NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1222023
Phase Preclinical
Structure Type MOL
InChI Key MGUXSJCFRWRPFY-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

470.7
MW (Da)
2.99
ALogP
4
HBA
3
HBD
112.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18Cl3N3O4
MW 470.74
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
20655213 10.1016/j.bmcl.2010.06.145 Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 1
20655213 10.1016/j.bmcl.2010.06.145 Integrin alpha-L 1

Data from ChEMBL 36 via Core Engine