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Compound Detail

CHEMBL269269

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O=C1c2c(c3c4ccccc4n(C4OC(COc5ccccc5)C(Oc5ccccc5)C(OCc5ccccc5)C4OCc4ccccc4)c3c3[nH]c4ccccc4c23)C(=O)N1CCCn1ccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL269269
Phase Preclinical
Structure Type MOL
InChI Key PAURPGGUSMMYDO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

928.1
MW (Da)
10.91
ALogP
10
HBA
1
HBD
122.1
PSA (Ų)
0.10
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C58H49N5O7
MW 928.06
Aromatic Rings 10
Heavy Atoms 70
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
15801850 10.1021/jm0493764 SW-620 1
15801850 10.1021/jm0493764 K562 1

Data from ChEMBL 36 via Core Engine