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Compound Detail

CHEMBL1963657

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

Basic Information

ChEMBL ID CHEMBL1963657
Phase Preclinical
Structure Type MOL
InChI Key BBQWNGGLGIBKLI-OUCADQQQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
0.97
ALogP
4
HBA
3
HBD
101.7
PSA (Ų)
0.61
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 C15H24N2O4
MW 296.37
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 1.62

Data from ChEMBL 36 via Core Engine