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Compound Detail

CHEMBL4564836

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CCCN1C(=O)C2C=NC(c3ccccc3)(P(=O)(OCC)OCC)C2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4564836
Phase Preclinical
Structure Type MOL
InChI Key FLAZLPIQMXSVCP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
3.20
ALogP
6
HBA
0
HBD
85.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25N2O5P
MW 392.39
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.16

Activity Summary

Ki 1 meas. best 4.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 4.02 4.02 95499.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 95499.26 nM 4.02 Displacement of [3H]2-BFI from I2IR in human brain frontal cortex incubated for ... 32150414

Literature References

PubMed DOI Target Context # Activities
32150414 10.1021/acs.jmedchem.9b02080 Unchecked 1

Data from ChEMBL 36 via Core Engine