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Compound Detail

CHEMBL1185463

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CCCCCCCNC[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185463
Phase Preclinical
Structure Type MOL
InChI Key LQWCJMDLDMFDCF-XKXSSWDPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

486.6
MW (Da)
-1.46
ALogP
11
HBA
6
HBD
181.3
PSA (Ų)
0.18
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H38N4O8
MW 486.57
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 1.27

Data from ChEMBL 36 via Core Engine