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Compound Detail

CHEMBL5204738

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CC(C(=O)Nc1ccc(Oc2ccccc2)cn1)N1CCC(F)(F)[C@@H](c2c[nH]c(=O)c(CN)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5204738
Phase Preclinical
Structure Type MOL
InChI Key XCBDHDDHNHUKQZ-CAWMZFRYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

483.5
MW (Da)
3.47
ALogP
6
HBA
3
HBD
113.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27F2N5O3
MW 483.52
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
35928854 10.1021/acsmedchemlett.2c00262 Mas-related G-protein coupled receptor member X2 1

Data from ChEMBL 36 via Core Engine