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Compound Detail

CHEMBL1182071

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CO[C@H]1/C=C\C=C(/C)C(=O)Nc2cc(O)c(N)c(c2O)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182071
Phase Preclinical
Structure Type MOL
InChI Key OLZVLNRBIKBPIX-TWNAANEASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

547.6
MW (Da)
3.14
ALogP
9
HBA
6
HBD
186.6
PSA (Ų)
0.14
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H41N3O8
MW 547.65
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness 2.20

Data from ChEMBL 36 via Core Engine