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Compound Detail

CHEMBL4533020

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CCCCCCCCCCCCNCc1nc(-c2ccccc2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4533020
Phase Preclinical
Structure Type MOL
InChI Key DTTZKKAWFAJMHG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

343.5
MW (Da)
5.75
ALogP
4
HBA
1
HBD
51.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H33N3O
MW 343.52
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
30654237 10.1016/j.ejmech.2019.01.001 CT26.WT 1
30654237 10.1016/j.ejmech.2019.01.001 4T1 1
30654237 10.1016/j.ejmech.2019.01.001 BHK-21 1

Data from ChEMBL 36 via Core Engine