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Compound Detail

CHEMBL1494574

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CCCCOn1c(C)c(C(=O)OCC)c2c3nonc3ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1494574
Phase Preclinical
Structure Type MOL
InChI Key KVAQWFKBVRFFBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
2.89
ALogP
7
HBA
0
HBD
79.4
PSA (Ų)
0.51
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 C16H19N3O4
MW 317.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.88

Data from ChEMBL 36 via Core Engine