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Compound Detail

CHEMBL1791434

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COC(=O)[C@@H](NP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O)C1C=Nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1791434
Phase Preclinical
Structure Type MOL
InChI Key CADFNWSLHMPEEM-DLTBPJTKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

509.4
MW (Da)
-0.81
ALogP
12
HBA
5
HBD
207.8
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N5O9P
MW 509.41
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.98

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8917645 10.1021/jm9603680 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine