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Compound Detail

CHEMBL174903

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CC(=O)NCC(=O)Nc1ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL174903
Phase Preclinical
Structure Type MOL
InChI Key XGPMKNIGDRFCPO-NSHDSACASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.3
MW (Da)
-0.58
ALogP
5
HBA
5
HBD
161.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N3O7
MW 351.32
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
15013002 10.1016/j.bmcl.2003.12.034 Homo sapiens 1

Data from ChEMBL 36 via Core Engine