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Compound Detail

CHEMBL117544

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NC(N)=NCCC[C@H]1COc2ccc(NC(=O)c3cc4nc(O)c(O)nc4cc3[N+](=O)[O-])cc2C(=O)NC[C@@H](N)C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117544
Phase Preclinical
Structure Type MOL
InChI Key BPWCYNXVLCRQLX-SWHJIRTISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

758.8
MW (Da)
-0.50
ALogP
14
HBA
10
HBD
351.4
PSA (Ų)
0.03
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 C34H38N12O9
MW 758.75
Aromatic Rings 4
Heavy Atoms 55
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
12139453 10.1021/jm010437x Escherichia coli 1

Data from ChEMBL 36 via Core Engine