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Compound Detail

CHEMBL1178959

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CC(C)NCCc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178959
Phase Preclinical
Structure Type MOL
InChI Key WLAJMYFOKJSSCW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.5
MW (Da)
1.59
ALogP
8
HBA
3
HBD
113.7
PSA (Ų)
0.38
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 C25H27N3O5
MW 449.51
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.87

Data from ChEMBL 36 via Core Engine