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Compound Detail

CHEMBL161411

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Cc1nn2ncccc2c1C(=O)NC1CC2CCCC(C1)N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL161411
Phase Preclinical
Structure Type MOL
InChI Key WSGKIENLLVRLEO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
1.78
ALogP
5
HBA
1
HBD
62.5
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23N5O
MW 313.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80182-7 Serotonin 3 (5-HT3) receptor 2

Data from ChEMBL 36 via Core Engine