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Compound Detail

CHEMBL3629904

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CC(=O)N[C@H]1C[C@H](C(OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)P(=O)(O)O)C[C@H]1O

Basic Information

ChEMBL ID CHEMBL3629904
Phase Preclinical
Structure Type MOL
InChI Key BUXMHJMGSDQTMC-KSKCBHHESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

558.4
MW (Da)
-2.64
ALogP
13
HBA
8
HBD
273.2
PSA (Ų)
0.14
QED
3
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H28N4O13P2
MW 558.37
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 1.09

Data from ChEMBL 36 via Core Engine