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Compound Detail

CHEMBL298344

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NC(N)=NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL298344
Phase Preclinical
Structure Type BOTH
InChI Key OWSMKCJUBAPHED-JYJNAYRXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
-1.12
ALogP
6
HBA
6
HBD
197.4
PSA (Ų)
0.15
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30N6O5
MW 434.50
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 0.38

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80059-1 Unchecked 1
- 10.1016/S0960-894X(00)80059-1 Mus musculus 1

Data from ChEMBL 36 via Core Engine