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Compound Detail

CHEMBL424112

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COC(=O)c1cc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4c([nH]3)C(=O)C=C3N(C(=O)OC(C)(C)C)C[C@H]5C[C@]345)C[C@H]3C[C@]123
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL424112
Phase Preclinical
Structure Type MOL
InChI Key NPIVYUSLFWDIBQ-QXOGRCOUSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

556.6
MW (Da)
3.21
ALogP
7
HBA
2
HBD
141.9
PSA (Ų)
0.54
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28N4O7
MW 556.58
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness 0.04

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10743956 10.1016/s0960-894x(00)00042-1 L1210 1

Data from ChEMBL 36 via Core Engine