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Compound Detail

CHEMBL1186265

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O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186265
Phase Preclinical
Structure Type MOL
InChI Key GUDCLNZMDLKVIJ-LJAQVGFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

564.8
MW (Da)
3.13
ALogP
8
HBA
4
HBD
128.6
PSA (Ų)
0.20
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H44N2O7S
MW 564.75
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.64

Data from ChEMBL 36 via Core Engine