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Compound Detail

CHEMBL420061

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NCCCC[C@H](NC(=O)CN)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL420061
Phase Preclinical
Structure Type MOL
InChI Key IKAIKUBBJHFNBZ-LURJTMIESA-N
0
Targets
6
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

203.2
MW (Da)
-1.36
ALogP
4
HBA
4
HBD
118.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H17N3O3
MW 203.24
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.44

Activity Summary

IC50 3 meas.
Ki 2 meas.
EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16759105 10.1021/jm0511029 Solute carrier family 15 member 1 4
7629809 10.1021/jm00014a022 Angiotensin-converting enzyme 1
12061879 10.1021/jm0105833 Mast cell carboxypeptidase A 1
21621881 10.1016/j.ejmech.2011.05.007 Angiotensin-converting enzyme 1
11007306 10.1007/s004240000339 Solute carrier family 15 member 2 1
11007306 10.1007/s004240000339 Solute carrier family 15 member 1 1

Data from ChEMBL 36 via Core Engine