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Compound Detail

CHEMBL289042

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CN(C)CCNC(=O)c1ccc2nc3ccccc3c(N)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL289042
Phase Preclinical
Structure Type MOL
InChI Key IYBJQHDVCSKJLO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
2.26
ALogP
4
HBA
2
HBD
71.2
PSA (Ų)
0.73
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 C18H20N4O
MW 308.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
3572974 10.1021/jm00388a019 Calf thymus DNA 9
6492078 10.1021/jm00377a017 No relevant target 2
6492078 10.1021/jm00377a017 ADMET 2
3572974 10.1021/jm00388a019 P388 2
6492078 10.1021/jm00377a017 L1210 1
6492078 10.1021/jm00377a017 HCT-8 1
6492078 10.1021/jm00377a017 Mus musculus 1
3572974 10.1021/jm00388a019 L1210 1
3572974 10.1021/jm00388a019 Nucleic Acid 1

Data from ChEMBL 36 via Core Engine