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Compound Detail

CHEMBL2269817

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CN1CN(C)/C(=N\[N+](=O)[O-])N(Cc2cnc(Cl)s2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2269817
Phase Preclinical
Structure Type MOL
InChI Key NRPCZWUIOZTKHN-FMIVXFBMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

304.8
MW (Da)
0.94
ALogP
5
HBA
0
HBD
78.1
PSA (Ų)
0.61
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 C9H13ClN6O2S
MW 304.76
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.82

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