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Compound Detail

CHEMBL296756

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NC(N)=NCCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL296756
Phase Preclinical
Structure Type MOL
InChI Key OMLWNBVRVJYMBQ-YUMQZZPRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
-3.01
ALogP
5
HBA
7
HBD
221.2
PSA (Ų)
0.12
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H26N8O3
MW 330.39
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 0.81

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16759105 10.1021/jm0511029 Solute carrier family 15 member 1 3
27209170 10.1016/j.bmc.2016.05.008 ADMET 3
- 10.1016/S0960-894X(00)80059-1 Unchecked 1
- 10.1016/S0960-894X(00)80059-1 Mus musculus 1
27209170 10.1016/j.bmc.2016.05.008 Escherichia coli 1
27209170 10.1016/j.bmc.2016.05.008 Bacillus spizizenii 1
27209170 10.1016/j.bmc.2016.05.008 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine