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Compound Detail

CHEMBL5925225

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CN(CC(=O)NCc1ccc(C(=N)N)cc1)C(=O)[C@H](NCC(=O)O)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5925225
Phase Preclinical
Structure Type MOL
InChI Key AGEQSZJQZFYWRQ-LJQANCHMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
0.67
ALogP
5
HBA
5
HBD
148.6
PSA (Ų)
0.28
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H31N5O4
MW 417.51
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.72

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

Target Type Rel. Value Units pChEMBL Assay PubMed
Mannan-binding lectin serine protease 2 Ki = 1500.0 nM 5.82 Enzymatic Assay for MASP-2: The assay was run at room temperature in an assay bu... -

Data from ChEMBL 36 via Core Engine