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Compound Detail

CHEMBL138006

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COc1cccc(C2NC(=O)c3ccccc3N2)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL138006
Phase Preclinical
Structure Type MOL
InChI Key BBVVUIHGZUCGGJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
2.56
ALogP
4
HBA
2
HBD
59.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N2O3
MW 284.31
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
11087572 10.1021/jm000151c KB 3
11087572 10.1021/jm000151c HCT-8 2
11087572 10.1021/jm000151c A549 2
11087572 10.1021/jm000151c HOS 2
11087572 10.1021/jm000151c PC-3 2
11087572 10.1021/jm000151c MCF7 2
11087572 10.1021/jm000151c SK-MEL-2 2
11087572 10.1021/jm000151c Tubulin 2
11087572 10.1021/jm000151c 1A9 1
11087572 10.1021/jm000151c U-87 MG 1

Data from ChEMBL 36 via Core Engine