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Compound Detail

CHEMBL3822793

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CCOC(Cn1nc(-c2ccc3ncccc3c2)c2c(N)ncnc21)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3822793
Phase Preclinical
Structure Type MOL
InChI Key LLWFRRLSCGCXNW-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
3.02
ALogP
8
HBA
1
HBD
101.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N6O2
MW 378.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.00

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27115835 10.1021/acs.jmedchem.6b00065 MCF7 1

Data from ChEMBL 36 via Core Engine