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Compound Detail

CHEMBL2031110

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CCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(C(N)=O)CC3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2031110
Phase Preclinical
Structure Type MOL
InChI Key VBTHYTLXDSJFMT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
1.95
ALogP
5
HBA
2
HBD
105.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22FN3O4
MW 375.40
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
22376072 10.1021/jm101439s Trypanosoma brucei brucei 2
22376072 10.1021/jm101439s Unchecked 1
22376072 10.1021/jm101439s ADMET 1

Data from ChEMBL 36 via Core Engine