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Compound Detail

CHEMBL1206699

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COc1ccc(-c2c3n(c4c(=O)oc5cc(OS(=O)(=O)O)c(OC)cc5c24)C(O)Cc2c-3cc(OC)c(OC)c2OC)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206699
Phase Preclinical
Structure Type MOL
InChI Key NGKXLYIOYXEKKH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

641.6
MW (Da)
4.06
ALogP
13
HBA
3
HBD
185.3
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H27NO13S
MW 641.61
Aromatic Rings 5
Heavy Atoms 45
NP-Likeness 1.00

Data from ChEMBL 36 via Core Engine