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Compound Detail

CHEMBL3794460

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COc1cc(-c2nnc3[nH]c(=O)c4ccccc4n23)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3794460
Phase Preclinical
Structure Type MOL
InChI Key XIQYAHGNVBSRGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
1.95
ALogP
6
HBA
2
HBD
92.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N4O3
MW 308.30
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
27031215 10.1016/j.ejmech.2016.03.056 HT-29 1
27031215 10.1016/j.ejmech.2016.03.056 Tubulin 1

Data from ChEMBL 36 via Core Engine