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Compound Detail

CHEMBL5092610

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CCN1CCN(CCCn2cnc3c(N4CCN(C(=O)c5ccccc5)CC4)nc(NCc4ccc(OC)cc4)nc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5092610
Phase Preclinical
Structure Type MOL
InChI Key XTGHVTLAJWMXAC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

597.8
MW (Da)
3.44
ALogP
10
HBA
1
HBD
94.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H43N9O2
MW 597.77
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
34142551 10.1021/acs.jmedchem.1c00532 Toll-like receptor 9 1
34142551 10.1021/acs.jmedchem.1c00532 Toll-like receptor 7 1

Data from ChEMBL 36 via Core Engine