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Compound Detail

CHEMBL1183157

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CN1CCCC1CCNC[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

Basic Information

ChEMBL ID CHEMBL1183157
Phase Preclinical
Structure Type MOL
InChI Key IBPFPXLLJNGLOK-FISCHTRNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

499.6
MW (Da)
-2.95
ALogP
12
HBA
6
HBD
184.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H37N5O8
MW 499.57
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness 1.13

Data from ChEMBL 36 via Core Engine