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Compound Detail

CHEMBL3608812

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CCOC(=O)c1cc2c3ccccc3n(Cc3cccnc3)c2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3608812
Phase Preclinical
Structure Type MOL
InChI Key NFVGGJKESGBVSY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
3.81
ALogP
5
HBA
0
HBD
57.0
PSA (Ų)
0.53
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 C20H17N3O2
MW 331.38
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
26235951 10.1016/j.bmcl.2015.07.058 NON-PROTEIN TARGET 3
26235951 10.1016/j.bmcl.2015.07.058 HL-60 1
26235951 10.1016/j.bmcl.2015.07.058 A498 1
26235951 10.1016/j.bmcl.2015.07.058 COLO 205 1
26235951 10.1016/j.bmcl.2015.07.058 SK-OV-3 1
26235951 10.1016/j.bmcl.2015.07.058 Detroit 551 1

Data from ChEMBL 36 via Core Engine