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Compound Detail

CHEMBL2370765

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CC(C)C[C@@H](N)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)C(C)C

Basic Information

ChEMBL ID CHEMBL2370765
Phase Preclinical
Structure Type MOL
InChI Key OTLDBIVULRZFDG-BODMPHMZSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
0.08
ALogP
6
HBA
6
HBD
187.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H38N4O7
MW 458.56
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 0.28

Activity Summary

Ki 2 meas. best 4.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL2590
Ki 4.6 4.6 25000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N Ki = 25000.0 nM 4.6 Compound was evaluated for the inhibition of Aminopeptidase M (AP-M) and the inh... 6142952

Literature References

PubMed DOI Target Context # Activities
6142952 10.1021/jm00370a001 Cytosol aminopeptidase 1
6142952 10.1021/jm00370a001 Aminopeptidase N 1

Data from ChEMBL 36 via Core Engine