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Compound Detail

CHEMBL4463544

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Nc1ncc(N2CCN(c3ccccc3Cl)CC2)c(N)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4463544
Phase Preclinical
Structure Type MOL
InChI Key NNIGIVZLOKIULW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

304.8
MW (Da)
1.62
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17ClN6
MW 304.79
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
30624926 10.1021/acs.jmedchem.8b01754 Dihydrofolate reductase 1
30624926 10.1021/acs.jmedchem.8b01754 Bifunctional dihydrofolate reductase-thymidylate synthase 1

Data from ChEMBL 36 via Core Engine