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Compound Detail

CHEMBL555356

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CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)ccc(O)c2C1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL555356
Phase Preclinical
Structure Type MOL
InChI Key NAMZUISJNPBUQR-FSRHSHDFSA-N
Parent Compound CHEMBL1195792
Active Moiety CHEMBL1195792
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

444.6
MW (Da)
4.59
ALogP
4
HBA
1
HBD
60.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H38ClFN2O3
MW 481.05
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
8831769 10.1021/jm960329o 5-hydroxytryptamine receptor 1A 6

Data from ChEMBL 36 via Core Engine