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Compound Detail

CHEMBL470847

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O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)[C@H]1C[C@@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL470847
Phase Preclinical
Structure Type MOL
InChI Key WZHZCKRRAKFWHG-YADHBBJMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
2.33
ALogP
4
HBA
2
HBD
64.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N4O2
MW 418.54
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
19299128 10.1016/j.bmcl.2009.02.125 Phospholipase D1 1
19299128 10.1016/j.bmcl.2009.02.125 Phospholipase D2 1

Data from ChEMBL 36 via Core Engine