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Compound Detail

CHEMBL5882970

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N=C(N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](N)C2CCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5882970
Phase Preclinical
Structure Type MOL
InChI Key AOLNKJCOSKPKPK-JKSUJKDBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

357.5
MW (Da)
0.71
ALogP
4
HBA
4
HBD
125.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27N5O2
MW 357.46
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.40

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