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Compound Detail

CHEMBL1622130

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C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)C3[C@@H](O)C21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1622130
Phase Preclinical
Structure Type MOL
InChI Key YDUGFTMNXJLIFF-VONWRGRHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

444.4
MW (Da)
-0.35
ALogP
9
HBA
6
HBD
181.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N2O8
MW 444.44
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 1.56

Data from ChEMBL 36 via Core Engine