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Compound Detail

CHEMBL5205183

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CC(C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1)N1CCC(F)(F)C(c2c[nH]c(=O)c(CNCCO)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5205183
Phase Preclinical
Structure Type MOL
InChI Key HUNCOHOXANXUCG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

545.6
MW (Da)
3.24
ALogP
7
HBA
4
HBD
119.6
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30F3N5O4
MW 545.56
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.89

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