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Compound Detail

CHEMBL2283041

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C=C(c1ccc(C(=O)NCCOC(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(C)(C)CCC4(C)C)cc2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2283041
Phase Preclinical
Structure Type MOL
InChI Key XHLUNCAKKIKKLX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

725.0
MW (Da)
10.59
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H56N2O4
MW 724.99
Aromatic Rings 4
Heavy Atoms 54
NP-Likeness -0.22

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0019-9 K562 1
- 10.1007/s00044-012-0019-9 NB-4 1
- 10.1007/s00044-012-0019-9 HL-60 1

Data from ChEMBL 36 via Core Engine