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Compound Detail

CHEMBL5437912

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O=C(O)CC[C@H](Nc1c(N[C@@H](CCCNC(=O)c2ccc(I)cc2)C(=O)O)c(=O)c1=O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5437912
Phase Preclinical
Structure Type MOL
InChI Key GEMQMYDVRINVQK-STQMWFEESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

587.3
MW (Da)
0.69
ALogP
8
HBA
6
HBD
199.2
PSA (Ų)
0.10
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22IN3O9
MW 587.32
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
37161996 10.1021/acs.jmedchem.3c00309 Glutamate carboxypeptidase 2 1

Data from ChEMBL 36 via Core Engine