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Compound Detail

CHEMBL550018

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NC(=O)C1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL550018
Phase Preclinical
Structure Type MOL
InChI Key AXIOIJYCBYMNOP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
1.88
ALogP
5
HBA
2
HBD
105.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20FN3O4
MW 373.38
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
22376072 10.1021/jm101439s Trypanosoma brucei brucei 2
19499921 10.1021/jm900411s Glycoprotein G 1
19499921 10.1021/jm900411s Unchecked 1
19499921 10.1021/jm900411s Vero 1
22376072 10.1021/jm101439s Unchecked 1
22376072 10.1021/jm101439s ADMET 1

Data from ChEMBL 36 via Core Engine