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Compound Detail

CHEMBL99177

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COc1ccccc1N1CCN(CC(=O)N2CCCOc3c2cnn(C)c3=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99177
Phase Preclinical
Structure Type MOL
InChI Key NKGNYGYNCIYRCT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
0.73
ALogP
8
HBA
0
HBD
80.1
PSA (Ų)
0.73
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 C21H27N5O4
MW 413.48
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10089-0 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine