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Compound Detail

CHEMBL2443215

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Cc1ccncc1CN1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2443215
Phase Preclinical
Structure Type MOL
InChI Key VROSYVFLYRHCSS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.6
MW (Da)
5.08
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.60
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 C27H29N3O
MW 411.55
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.83

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