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Compound Detail

CHEMBL2269819

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CN1CN(C)/C(=N\[N+](=O)[O-])N(Cc2ccc(Cl)nc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2269819
Phase Preclinical
Structure Type MOL
InChI Key JSQALCOPVQFHFG-SDNWHVSQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.7
MW (Da)
0.88
ALogP
4
HBA
0
HBD
78.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15ClN6O2
MW 298.73
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
10936213 10.1046/j.1471-4159.2000.751294.x Acetylcholine receptor subunit beta-like 2 1
10936213 10.1046/j.1471-4159.2000.751294.x Unchecked 1

Data from ChEMBL 36 via Core Engine