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Compound Detail

CHEMBL5405413

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CCC[C@@H](CCO)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)nc3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5405413
Phase Preclinical
Structure Type MOL
InChI Key DKXFINQWYSANJP-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
2.08
ALogP
10
HBA
4
HBD
136.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H34N8O2
MW 454.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
38352830 10.1021/acsmedchemlett.3c00455 Toll-like receptor 7 2
38352830 10.1021/acsmedchemlett.3c00455 ADMET 2
38352830 10.1021/acsmedchemlett.3c00455 Voltage-gated inwardly rectifying potassium channel KCNH2 1
38352830 10.1021/acsmedchemlett.3c00455 T-cell 1
38352830 10.1021/acsmedchemlett.3c00455 Toll-like receptor 8 1

Data from ChEMBL 36 via Core Engine