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Compound Detail

CHEMBL5864485

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Nc1nccc2cc(CNC(=O)[C@@H]3CCN3C(=O)[C@H](N)C3CCCCC3)ccc12

Basic Information

ChEMBL ID CHEMBL5864485
Phase Preclinical
Structure Type MOL
InChI Key HYFMTVZPSAKHIB-RBUKOAKNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
1.94
ALogP
5
HBA
3
HBD
114.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N5O2
MW 395.51
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.39

Activity Summary

Ki 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mannan-binding lectin serine protease 2
CHEMBL4295646
Ki 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine