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Compound Detail

CHEMBL1818216

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CCCCN1CCN(c2ncc(C(=O)NCc3ccccc3)c(NC3CC3)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1818216
Phase Preclinical
Structure Type MOL
InChI Key ZCSJFRUGABZPGH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.6
MW (Da)
2.90
ALogP
6
HBA
2
HBD
73.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N6O
MW 408.55
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.74

Literature References

PubMed DOI Target Context # Activities
21741838 10.1016/j.bmcl.2011.06.035 Transient receptor potential cation channel subfamily A member 1 2

Data from ChEMBL 36 via Core Engine