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Compound Detail

CHEMBL144411

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O=C(CCN1CCOCC1)Nc1cccc2c1C(=O)c1cccc(NC(=O)CCN3CCOCC3)c1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL144411
Phase Preclinical
Structure Type MOL
InChI Key XCXJDSJBAFIETK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

520.6
MW (Da)
1.78
ALogP
8
HBA
2
HBD
117.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32N4O6
MW 520.59
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
9822556 10.1021/jm981067o DNA polymerase I, thermostable 3
9822556 10.1021/jm981067o A2780 1
9822556 10.1021/jm981067o CH1 1
9822556 10.1021/jm981067o SK-OV-3 1
9822556 10.1021/jm981067o Telomerase reverse transcriptase 1

Data from ChEMBL 36 via Core Engine