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Compound Detail

CHEMBL542474

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

Basic Information

ChEMBL ID CHEMBL542474
Phase Preclinical
Structure Type MOL
InChI Key ABISYNUPIBFUQK-ZMBIFBSDSA-N
Parent Compound CHEMBL1191385
Active Moiety CHEMBL1191385
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
5.09
ALogP
4
HBA
0
HBD
57.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H40ClFN2O3
MW 507.09
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness -0.74

Literature References

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

Data from ChEMBL 36 via Core Engine