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Compound Detail

CHEMBL5630830

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CC1c2nnc(-c3cccc(C(C)(C)O)n3)n2CCN1C(=O)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5630830
Phase Preclinical
Structure Type MOL
InChI Key OZERNCSWJAEDSX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
2.92
ALogP
6
HBA
1
HBD
84.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22FN5O2
MW 395.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
37247507 10.1016/j.ejmech.2023.115486 Neuromedin-K receptor 2

Data from ChEMBL 36 via Core Engine