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Compound Detail

CHEMBL1194448

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O=[N+]([O-])c1cc(C(NCC2CCCCC2)P(=O)(O)O)c2nc(O)c(O)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194448
Phase Preclinical
Structure Type MOL
InChI Key XVEWYBDCUDKTQX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.3
MW (Da)
2.30
ALogP
8
HBA
5
HBD
178.9
PSA (Ų)
0.27
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21N4O7P
MW 412.34
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.57

Data from ChEMBL 36 via Core Engine