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Compound Detail

CHEMBL5566311

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COc1cc(P(C)(C)=O)c(OC)cc1CCN.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5566311
Phase Preclinical
Structure Type MOL
InChI Key JEIHRXAULHYNPY-UHFFFAOYSA-N
Parent Compound CHEMBL6070397
Active Moiety CHEMBL6070397
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

257.3
MW (Da)
1.45
ALogP
4
HBA
1
HBD
61.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H21ClNO3P
MW 293.73
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.24

Literature References

PubMed DOI Target Context # Activities
38593423 10.1021/acs.jmedchem.3c01961 5-hydroxytryptamine receptor 2A 1
38593423 10.1021/acs.jmedchem.3c01961 No relevant target 1

Data from ChEMBL 36 via Core Engine