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Compound Detail

CHEMBL5196057

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CCc1cc2c(cc1CC)CC(NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1)C2.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5196057
Phase Preclinical
Structure Type MOL
InChI Key NKUBBQDQVBWVLU-UHFFFAOYSA-N
Parent Compound CHEMBL5222234
Active Moiety CHEMBL5222234
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.9
MW (Da)
4.86
ALogP
3
HBA
3
HBD
58.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27Cl2F3N2O
MW 463.37
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.42

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