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Compound Detail

CHEMBL3819680

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CCC(CC)OC[C@@H]1CC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3819680
Phase Preclinical
Structure Type MOL
InChI Key SZYRJCYFSWDGSC-UBHSHLNASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
1.05
ALogP
4
HBA
3
HBD
101.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H26N2O4
MW 298.38
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 0.88

Data from ChEMBL 36 via Core Engine