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Compound Detail

CHEMBL153544

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Nc1nc(N)c(CCCNc2ccc(C(=O)NCC(=O)O)cc2)c(O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL153544
Phase Preclinical
Structure Type MOL
InChI Key XICLKCPBJLWHAX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
0.21
ALogP
8
HBA
6
HBD
176.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N6O4
MW 360.37
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
2299624 10.1021/jm00164a014 Detroit 98 1
2299624 10.1021/jm00164a014 L cells 1
2299624 10.1021/jm00164a014 C-1-tetrahydrofolate synthase, cytoplasmic 1

Data from ChEMBL 36 via Core Engine