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Compound Detail

CHEMBL498800

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Nc1nc2[nH]c(Cc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL498800
Phase Preclinical
Structure Type MOL
InChI Key LHMUZCZEUVKRGD-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
0.47
ALogP
6
HBA
6
HBD
191.3
PSA (Ų)
0.31
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 C19H19N5O6
MW 413.39
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
18680275 10.1021/jm8003366 NON-PROTEIN TARGET 5
18680275 10.1021/jm8003366 KB 2
18680275 10.1021/jm8003366 IGROV-1 2
18680275 10.1021/jm8003366 Trifunctional purine biosynthetic protein adenosine-3 2
18680275 10.1021/jm8003366 R2 1
18680275 10.1021/jm8003366 Reduced folate transporter 1

Data from ChEMBL 36 via Core Engine