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Compound Detail

CHEMBL296301

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C[C@@H]1C(=O)N(C(=O)C2C(C)(C)C2(C)C)[C@H]2CCN(C(=O)OCc3ccccc3)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL296301
Phase Preclinical
Structure Type MOL
InChI Key BECVLUDWCYQONT-BHYGNILZSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
3.45
ALogP
4
HBA
0
HBD
66.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30N2O4
MW 398.50
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.01

Pharmacokinetic Data

Parameter Value Units Species
T1/2 33.0 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