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Compound Detail

CHEMBL1195455

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C[C@H](NCc1cc(Br)cc2nc(O)c(O)nc12)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195455
Phase Preclinical
Structure Type MOL
InChI Key XAFDYYMPUIAMSV-YFKPBYRVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.1
MW (Da)
1.37
ALogP
6
HBA
4
HBD
115.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12BrN3O4
MW 342.15
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine