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Compound Detail

CHEMBL4757121

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CC(C)(C)n1nc(-c2ccc(-c3ccccc3)cc2)c2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4757121
Phase Preclinical
Structure Type MOL
InChI Key MKQBBKVKYIFHPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
4.50
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.58
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 C21H21N5
MW 343.43
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
33476933 10.1016/j.ejmech.2020.113148 Transitional endoplasmic reticulum ATPase 2
33476933 10.1016/j.ejmech.2020.113148 Unchecked 2

Data from ChEMBL 36 via Core Engine