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Compound Detail

CHEMBL378431

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Cn1nnnc1CC1(CN)CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL378431
Phase Preclinical
Structure Type MOL
InChI Key NMSNVNVDLOGZEB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

209.3
MW (Da)
0.66
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.79
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 C10H19N5
MW 209.30
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
15946842 10.1016/j.bmcl.2005.05.016 Voltage-dependent calcium channel alpha2delta subunit 1
17489571 10.1021/jm060650z Unchecked 1
19010672 10.1016/j.bmcl.2008.10.101 Unchecked 1

Data from ChEMBL 36 via Core Engine