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Compound Detail

CHEMBL4203128

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Nc1nc(N)c2cc(NCc3ccc(CCNC(=O)c4ccncc4)cc3)ccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4203128
Phase Preclinical
Structure Type MOL
InChI Key MNQVAOFJRFTSEN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
2.77
ALogP
7
HBA
4
HBD
131.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N7O
MW 413.49
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
29111368 10.1016/j.bmc.2017.10.017 Cysteine protease falcipain-2 2
29111368 10.1016/j.bmc.2017.10.017 Bifunctional dihydrofolate reductase-thymidylate synthase 2

Data from ChEMBL 36 via Core Engine