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Compound Detail

CHEMBL540782

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Cl.O=C(OC1CC2CCC(C1)N2Cc1ccccc1)n1c(=O)[nH]c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL540782
Phase Preclinical
Structure Type MOL
InChI Key YZGFQFFFYWZVFS-UHFFFAOYSA-N
Parent Compound CHEMBL1190379
Active Moiety CHEMBL1190379
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
3.51
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24ClN3O3
MW 413.91
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.31

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