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Compound Detail

CHEMBL3350566

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CO[C@H]1[C@H](OC=O)[C@@H](O)[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)OC4=O)O[C@@H]1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3350566
Phase Preclinical
Structure Type MOL
InChI Key QFFFJGCDBNZSHF-CNFVFWEUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

530.5
MW (Da)
2.55
ALogP
10
HBA
3
HBD
149.3
PSA (Ų)
0.18
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H22N2O9
MW 530.49
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness 1.18

Literature References

PubMed DOI Target Context # Activities
9572888 10.1021/jm970843+ Bacillus cereus 2
9572888 10.1021/jm970843+ CEM-SS 2
9572888 10.1021/jm970843+ P388 1
9572888 10.1021/jm970843+ DNA topoisomerase 1 1
9572888 10.1021/jm970843+ Streptomyces chartreusis 1

Data from ChEMBL 36 via Core Engine