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Compound Detail

CHEMBL263879

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

Basic Information

ChEMBL ID CHEMBL263879
Phase Preclinical
Structure Type MOL
InChI Key ZMLOBWHEHJLRDF-MNDPQUGUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
3.37
ALogP
5
HBA
0
HBD
91.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N4O3
MW 328.37
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80297-8 Rattus norvegicus 1
- 10.1016/S0960-894X(00)80297-8 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine