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Compound Detail

CHEMBL4116418

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Cc1nc(/N=N/c2cc(S(=O)(=O)O)c3cc([N+](=O)[O-])cc(S(=O)(=O)O)c3c2)c(COP(=O)(O)O)c(C(=O)O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116418
Phase Preclinical
Structure Type MOL
InChI Key BSGACLKUSCIAPK-QZQOTICOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

622.4
MW (Da)
2.37
ALogP
13
HBA
6
HBD
313.8
PSA (Ų)
0.07
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 C18H15N4O15PS2
MW 622.44
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.24

Data from ChEMBL 36 via Core Engine