Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL97301

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1cc(CNc2ccc(C)cc2)cc(OC)c1OC.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL97301
Phase Preclinical
Structure Type MOL
InChI Key YNUQVPKYSQEUIO-UHFFFAOYSA-N
Parent Compound CHEMBL95144
Active Moiety CHEMBL95144
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
3.63
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22ClNO3
MW 323.82
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.59

Activity Summary

IC50 1 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tubulin
CHEMBL2111464
 IC50 5.46 5.46 3500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tubulin IC50 = 3500.0 nM 5.46 In vitro inhibition of bovine electrophoretically homogeneous tubulin polymeriza... 8410995

Literature References

PubMed DOI Target Context # Activities
8410995 10.1021/jm00071a012 NCI-H522 2
8410995 10.1021/jm00071a012 DMS-273 2
8410995 10.1021/jm00071a012 COLO 205 2
8410995 10.1021/jm00071a012 SF-295 2
8410995 10.1021/jm00071a012 M14 2
8410995 10.1021/jm00071a012 OVCAR-3 2
8410995 10.1021/jm00071a012 CAKI-1 2
8410995 10.1021/jm00071a012 HL-60 2
8410995 10.1021/jm00071a012 UO-31 1
8410995 10.1021/jm00071a012 NCI-H322M 1
8410995 10.1021/jm00071a012 NCI-H23 1
8410995 10.1021/jm00071a012 HOP-92 1
8410995 10.1021/jm00071a012 HOP-62 1
8410995 10.1021/jm00071a012 HOP-18 1
8410995 10.1021/jm00071a012 EKVX 1
8410995 10.1021/jm00071a012 A549 1
8410995 10.1021/jm00071a012 RPMI-8226 1
8410995 10.1021/jm00071a012 MOLT-4 1
8410995 10.1021/jm00071a012 K562 1
8410995 10.1021/jm00071a012 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine