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Quick search ChEMBL 36
Compound Detail

CHEMBL562718

INDANOCINE
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COc1cc2c(c(N)c1OC)C(=O)/C(=C\c1cc(C)c(O)c(C)c1)C2

Basic Information

ChEMBL ID CHEMBL562718
Name INDANOCINE
Phase Preclinical
Structure Type MOL
InChI Key KJTPWUVVLPCPJD-AUWJEWJLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
3.43
ALogP
5
HBA
2
HBD
81.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO4
MW 339.39
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.52

Activity Summary

IC50 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1700.0 nM 5.77 Inhibition of tubulin polymerization 19507860

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00200D NON-PROTEIN TARGET 10
- 10.1039/C3MD00200D HT-29 1
- 10.1039/C3MD00200D CCRF-CEM 1
- 10.1039/C3MD00200D HOP-62 1
- 10.1039/C3MD00200D U-251 1
- 10.1039/C3MD00200D RXF 393 1
- 10.1039/C3MD00200D IGROV-1 1
- 10.1039/C3MD00200D SF-295 1
- 10.1039/C3MD00200D ACHN 1
- 10.1039/C3MD00200D SK-MEL-2 1
- 10.1039/C3MD00200D SK-MEL-28 1
- 10.1039/C3MD00200D HCC 2998 1
19507860 10.1021/jm801649y Unchecked 1
- 10.1039/C3MD00200D NCI-H226 1
- 10.1039/C3MD00200D CAKI-1 1
- 10.1039/C3MD00200D COLO 205 1
- 10.1039/C3MD00200D A498 1
- 10.1039/C3MD00200D BT-549 1
- 10.1039/C3MD00200D TK-10 1
- 10.1039/C3MD00200D HOP-92 1

Data from ChEMBL 36 via Core Engine