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Compound Detail

CHEMBL2396909

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NCCNc1nc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2396909
Phase Preclinical
Structure Type MOL
InChI Key XARCUBHUCFGDIP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

176.2
MW (Da)
0.93
ALogP
3
HBA
3
HBD
66.7
PSA (Ų)
0.65
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 C9H12N4
MW 176.22
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
23719283 10.1016/j.bmc.2013.05.001 HepG2 1
23719283 10.1016/j.bmc.2013.05.001 PC-12 1
23719283 10.1016/j.bmc.2013.05.001 Cholinesterase 1
23719283 10.1016/j.bmc.2013.05.001 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine