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Compound Detail

CHEMBL323883

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CN(CC(=O)Nc1ccc2c(c1)C(=O)NC[C@@H](N)C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N[C@@H](CCCN=C(N)N)CO2)C(=O)c1ccc2nc(O)c(O)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL323883
Phase Preclinical
Structure Type MOL
InChI Key OFAZVSWKDMIBRU-CKOJHNACSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

784.8
MW (Da)
-0.95
ALogP
13
HBA
10
HBD
328.6
PSA (Ų)
0.04
QED
3
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H44N12O8
MW 784.83
Aromatic Rings 4
Heavy Atoms 57
NP-Likeness -0.15

Literature References

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

Data from ChEMBL 36 via Core Engine