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Compound Detail

CHEMBL5888856

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N=C(N)NCCCNC(=O)[C@@H]1CCN1C(=O)[C@H](N)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5888856
Phase Preclinical
Structure Type MOL
InChI Key ZBPYPDHXKDIMHW-QWHCGFSZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

338.5
MW (Da)
-0.52
ALogP
4
HBA
5
HBD
137.3
PSA (Ų)
0.24
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H30N6O2
MW 338.46
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness -0.09

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