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Compound Detail

CHEMBL211805

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CCN(CC)/[N+]([O-])=N\Oc1ccnc(SC)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL211805
Phase Preclinical
Structure Type MOL
InChI Key SLQOJZZDCYGBIB-WYMLVPIESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

257.3
MW (Da)
1.71
ALogP
6
HBA
0
HBD
76.7
PSA (Ų)
0.25
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 C9H15N5O2S
MW 257.32
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
16821795 10.1021/jm060022h HL-60 1

Data from ChEMBL 36 via Core Engine