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Compound Detail

CHEMBL599000

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Cc1cccc(C)c1-c1cnnc(CCN(C)C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL599000
Phase Preclinical
Structure Type MOL
InChI Key ASRQKQRIVCTYNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

256.4
MW (Da)
2.26
ALogP
4
HBA
0
HBD
41.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N4
MW 256.35
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
20138771 10.1016/j.bmc.2010.01.035 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine