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Compound Detail

CHEMBL4527360

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N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccncn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4527360
Phase Preclinical
Structure Type MOL
InChI Key PGODFSZKAINRJJ-YCRREMRBSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
0
Publications
0
Known Names

Molecular Properties

284.2
MW (Da)
1.86
ALogP
7
HBA
2
HBD
133.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8N4O4
MW 284.23
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.12

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.9167 hr Rattus norvegicus

Data from ChEMBL 36 via Core Engine