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Compound Detail

CHEMBL539261

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CN1C2CCC1CC(NC(=O)n1c(=O)[nH]c3ccccc31)C2.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL539261
Phase Preclinical
Structure Type MOL
InChI Key WKDOOXQPGYZUKZ-UHFFFAOYSA-N
Parent Compound CHEMBL293468
Active Moiety CHEMBL293468
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
1.51
ALogP
4
HBA
2
HBD
70.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21ClN4O2
MW 336.82
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
1695682 10.1021/jm00170a009 Serotonin 3 (5-HT3) receptor 1
1695682 10.1021/jm00170a009 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine