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Compound Detail

CHEMBL2017987

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CC(C)(CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2017987
Phase Preclinical
Structure Type MOL
InChI Key LSGUFBHQNBAXAC-UHFFFAOYSA-N
Parent Compound CHEMBL2021735
Active Moiety CHEMBL2021735
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.8
MW (Da)
0.51
ALogP
5
HBA
3
HBD
106.9
PSA (Ų)
0.70
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 C12H22ClIN6O
MW 428.71
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
22425452 10.1016/j.bmcl.2012.02.067 Unchecked 1

Data from ChEMBL 36 via Core Engine