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Compound Detail

CHEMBL1207338

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C/C=C1/C(=O)N2C(C(=O)O)=C3[C@@H](OC(C)C)CCC[C@@H]3[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207338
Phase Preclinical
Structure Type MOL
InChI Key VDZDNZXKYYQECM-UIXYVRDFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
2.09
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.64
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 C16H21NO4
MW 291.35
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 0.89

Data from ChEMBL 36 via Core Engine