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Compound Detail

CHEMBL47226

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CC(=O)N1C(=O)C(C)(C)[C@@H]2[C@@H]1CCN2C(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL47226
Phase Preclinical
Structure Type MOL
InChI Key WXBVNFXCMFPRAB-GJZGRUSLSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
2.18
ALogP
4
HBA
0
HBD
66.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N2O4
MW 330.38
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.04

Pharmacokinetic Data

Parameter Value Units Species
T1/2 6.5 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
12067545 10.1016/s0960-894x(02)00294-9 ADMET 1
12067545 10.1016/s0960-894x(02)00294-9 Capsid scaffolding protein 1

Data from ChEMBL 36 via Core Engine