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Compound Detail

CHEMBL2443214

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O=C1N(c2ccc(-c3ccccc3)cc2)CCC12CCN(Cc1ccccc1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2443214
Phase Preclinical
Structure Type MOL
InChI Key IDWHOAFVIAQOQM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
5.37
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.59
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N2O
MW 396.53
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
24055079 10.1016/j.bmc.2013.08.046 Egl nine homolog 1 1

Data from ChEMBL 36 via Core Engine