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Compound Detail

CHEMBL56482

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CC(CCCN1CCCCC1)Nc1c2ccccc2nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL56482
Phase Preclinical
Structure Type MOL
InChI Key KRZSXYWPPRFPMB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.5
MW (Da)
5.45
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.60
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29N3
MW 347.51
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
15050626 10.1016/j.bmcl.2004.01.087 Voltage-dependent calcium channel subunit alpha-2/delta-1 1

Data from ChEMBL 36 via Core Engine