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Compound Detail

CHEMBL128139

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CCCCn1c(=O)c2ncn(Cc3ccccc3)c2c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL128139
Phase Preclinical
Structure Type MOL
InChI Key NQLPXGPQVKGCPR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
4.20
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N3O
MW 331.42
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
1331454 10.1021/jm00100a009 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine