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Compound Detail

CHEMBL1962467

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COC(=O)[C@@H](N)Cc1ccc(OP2(=O)CO[C@@H](Cn3cnc4c(N)ncnc43)CO2)cc1

Basic Information

ChEMBL ID CHEMBL1962467
Phase Preclinical
Structure Type MOL
InChI Key YUPOTOHTXKPVPE-PIGCSEJVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

462.4
MW (Da)
1.10
ALogP
12
HBA
2
HBD
166.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N6O6P
MW 462.40
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine