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Compound Detail

CHEMBL4589036

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COC(=O)c1cc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4cc(NC(=O)c5cc6ccccc6[nH]5)ccc4[nH]3)C[C@H]3C[C@]123
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4589036
Phase Preclinical
Structure Type MOL
InChI Key HIQPQZWYBHWINR-AUMHUTNHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

545.6
MW (Da)
4.51
ALogP
5
HBA
4
HBD
140.2
PSA (Ų)
0.25
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H23N5O5
MW 545.56
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -0.44

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27221071 10.1016/j.bmc.2016.04.050 L1210 1

Data from ChEMBL 36 via Core Engine