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Compound Detail

CHEMBL191848

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CC1OC(n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(N)C4=O)CC(O)C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL191848
Phase Preclinical
Structure Type MOL
InChI Key FYFDJUOWHPAPNA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

470.5
MW (Da)
2.93
ALogP
7
HBA
4
HBD
133.8
PSA (Ų)
0.17
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22N4O5
MW 470.49
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness 0.78

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