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Compound Detail

CHEMBL4453028

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O=C(O)CC[C@H](NC(=O)N[C@H](CCCCNC(=O)c1ccc(I)cc1)C(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4453028
Phase Preclinical
Structure Type MOL
InChI Key ROXRILBFJQYPNZ-KGLIPLIRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

549.3
MW (Da)
1.26
ALogP
5
HBA
6
HBD
182.1
PSA (Ų)
0.16
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24IN3O8
MW 549.32
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
32097010 10.1021/acs.jmedchem.9b02022 Glutamate carboxypeptidase 2 1

Data from ChEMBL 36 via Core Engine