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Compound Detail

CHEMBL1189278

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Cn1cc[n+](COC[n+]2ccccc2/C=N/O)c1/C=N/O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189278
Phase Preclinical
Structure Type MOL
InChI Key JKWXVBVCFMNSRA-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

291.3
MW (Da)
-0.15
ALogP
6
HBA
2
HBD
87.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17N5O3+2
MW 291.31
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.28

Data from ChEMBL 36 via Core Engine