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Compound Detail

CHEMBL2396904

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CCCCN(C)c1nc2ccccc2n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2396904
Phase Preclinical
Structure Type MOL
InChI Key MQDHWQWAQCVOTC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

217.3
MW (Da)
2.81
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.78
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 C13H19N3
MW 217.32
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.43

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