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Compound Detail

CHEMBL1188850

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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 CHEMBL1188850
Phase Preclinical
Structure Type MOL
InChI Key IPCHEUUNGBEQKN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.3
MW (Da)
1.92
ALogP
8
HBA
5
HBD
178.9
PSA (Ų)
0.23
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 C16H15N4O7P
MW 406.29
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.77

Data from ChEMBL 36 via Core Engine