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Compound Detail

CHEMBL57635

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CCN(CC)CCCC(C)Nc1cc(C(F)(F)F)nc2c1CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL57635
Phase Preclinical
Structure Type MOL
InChI Key PWHOMYJTIOOKRU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.5
MW (Da)
4.90
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H30F3N3
MW 357.46
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.18

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