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Compound Detail

CHEMBL3287961

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Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCCCCCO)c3)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3287961
Phase Preclinical
Structure Type MOL
InChI Key HYPGIWBOMOOAFH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
5.37
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N3O3
MW 407.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
24946215 10.1016/j.ejmech.2014.06.011 Unchecked 1

Data from ChEMBL 36 via Core Engine