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Compound Detail

CHEMBL263110

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OC[C@H](Cc1ccccc1)Nc1nc(NCc2ccc3c(c2)OCO3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL263110
Phase Preclinical
Structure Type MOL
InChI Key FTYNCQNAEYBZLL-LJAQVGFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

584.7
MW (Da)
5.90
ALogP
9
HBA
3
HBD
106.3
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H32N6O3
MW 584.68
Aromatic Rings 6
Heavy Atoms 44
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
17460038 10.1073/pnas.0702136104 HEK293 1

Data from ChEMBL 36 via Core Engine