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Compound Detail

CHEMBL60288

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CN(C)/C(=N\C(N)=O)C1=CC(C)(C)Oc2ccc([N+](=O)[O-])cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL60288
Phase Preclinical
Structure Type MOL
InChI Key JYXSDQIGPRMMTJ-LGMDPLHJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
2.19
ALogP
4
HBA
1
HBD
111.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N4O4
MW 318.33
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80551-5 Rattus norvegicus 2
- 10.1016/S0960-894X(01)80551-5 Cavia porcellus 2

Data from ChEMBL 36 via Core Engine