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Compound Detail

CHEMBL554755

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CN1C2CCC1CC(OC(=O)n1c(=O)[nH]c3cc(Cl)ccc31)C2.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL554755
Phase Preclinical
Structure Type MOL
InChI Key OFTKRRUAIBXFMV-UHFFFAOYSA-N
Parent Compound CHEMBL1195516
Active Moiety CHEMBL1195516
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.8
MW (Da)
2.59
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.87
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 C16H19Cl2N3O3
MW 372.25
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.19

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