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Compound Detail

CHEMBL360374

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C[C@@H](Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL360374
Phase Preclinical
Structure Type MOL
InChI Key PIUOACOVBKELNG-CQSZACIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
3.12
ALogP
7
HBA
3
HBD
98.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N6O
MW 350.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
15261279 10.1016/j.bmcl.2004.06.008 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine