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Compound Detail

CHEMBL281437

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NC(N)=NCCC[C@H](N)C(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL281437
Phase Preclinical
Structure Type MOL
InChI Key RRJCLYMGCZJLBQ-YPMHNXCESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
-0.02
ALogP
5
HBA
5
HBD
165.0
PSA (Ų)
0.23
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H24N4O4
MW 336.39
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.16

Activity Summary

Ki 1 meas. best 9.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase B
CHEMBL2452
 Ki 9.08 9.08 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase B Ki = 0.84 nM 9.08 Inhibition of aminopeptidase B or arginyl aminopeptidase purified from rat liver 2566685

Literature References

PubMed DOI Target Context # Activities
2566685 10.1021/jm00126a039 Leucyl-cystinyl aminopeptidase 1
2566685 10.1021/jm00126a039 Aminopeptidase B 1

Data from ChEMBL 36 via Core Engine