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

CHEMBL30098

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
O=C1/C(=C/c2ccc(F)cc2)Cc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL30098
Phase Preclinical
Structure Type MOL
InChI Key ZCVDRPALEOGSAS-UKTHLTGXSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
3.65
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11FO
MW 238.26
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.61

Activity Summary

IC50 3 meas. best 4.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CCRF-CEM
CHEMBL382
 IC50 4.38 4.38 42200.0 1
MOLT-4
CHEMBL614177
 IC50 4.22 4.22 60000.0 1
L1210
CHEMBL386
 IC50 4.05 4.05 89000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CCRF-CEM IC50 = 42200.0 nM 4.38 Inhibitory activity was tested against CEM cells 10212121
MOLT-4 IC50 = 60000.0 nM 4.22 Inhibitory activity was tested against Molt4/C8 cells 10212121
L1210 IC50 = 89000.0 nM 4.05 Inhibitory activity was tested against L1210 cells 10212121

Literature References

PubMed DOI Target Context # Activities
10212121 10.1021/jm9806695 P388 2
10212121 10.1021/jm9806695 L1210 2
10212121 10.1021/jm9806695 MOLT-4 2
10212121 10.1021/jm9806695 CCRF-CEM 2
28384544 10.1016/j.ejmech.2017.03.049 RAW264.7 2
37666364 10.1016/j.bmcl.2023.129467 A549 2
28646757 10.1016/j.ejmech.2017.06.018 HT-29 1
37666364 10.1016/j.bmcl.2023.129467 MCF7 1
37666364 10.1016/j.bmcl.2023.129467 PANC-1 1

Data from ChEMBL 36 via Core Engine