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Compound Detail

CHEMBL3746879

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Cc1cc2c(C(=O)N(C)C)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3746879
Phase Preclinical
Structure Type MOL
InChI Key IZBMPTNDOVKEFC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
3.69
ALogP
6
HBA
2
HBD
75.1
PSA (Ų)
0.50
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 C26H28N6O
MW 440.55
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
26565666 10.1021/acs.jmedchem.5b01346 Transitional endoplasmic reticulum ATPase 1
26565666 10.1021/acs.jmedchem.5b01346 A549 1

Data from ChEMBL 36 via Core Engine