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Compound Detail

CHEMBL5188837

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Cl.Nc1c(Cl)cc(C(CO)NC2CCCCC2)cc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5188837
Phase Preclinical
Structure Type MOL
InChI Key UUBWMFCZWIEFIM-UHFFFAOYSA-N
Parent Compound CHEMBL5221835
Active Moiety CHEMBL5221835
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.8
MW (Da)
3.90
ALogP
3
HBA
3
HBD
58.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21Cl2F3N2O
MW 373.25
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
35360904 10.1021/acs.jmedchem.1c02006 Beta-2 adrenergic receptor 1

Data from ChEMBL 36 via Core Engine