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Compound Detail

CHEMBL116397

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Cc1nc2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC[C@@H](N)C(=O)N[C@@H](Cc3ccc(N)cc3)C(=O)N[C@@H](CCCN=C(N)N)CO4)cc2nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL116397
Phase Preclinical
Structure Type MOL
InChI Key AAKXQHAFBCEJJN-NSROOHRNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

709.8
MW (Da)
0.80
ALogP
10
HBA
8
HBD
267.9
PSA (Ų)
0.05
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H43N11O5
MW 709.81
Aromatic Rings 4
Heavy Atoms 52
NP-Likeness 0.08

Literature References

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

Data from ChEMBL 36 via Core Engine