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Compound Detail

CHEMBL4116666

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CC(C)(C)C(=O)OCOP(=O)(O)COCCOc1cc(N)nc(N)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116666
Phase Preclinical
Structure Type MOL
InChI Key NFXUNWFXDAJGIU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.3
MW (Da)
0.74
ALogP
10
HBA
3
HBD
169.1
PSA (Ų)
0.24
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H23N4O7P
MW 378.32
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.11

Data from ChEMBL 36 via Core Engine