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Compound Detail

CHEMBL1644972

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Cc1ccc(C2(O)CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1644972
Phase Preclinical
Structure Type MOL
InChI Key KBEHDKMPDCAKFO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.6
MW (Da)
6.17
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31F2NO
MW 435.56
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.55

Activity Summary

EC50 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
H4
CHEMBL1075452
 EC50 5.19 5.19 6400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
H4 EC50 = 6400.0 nM 5.19 Induction of autophagy in human H4 cells expressing LC3 using DAPI staining afte... 21126871

Literature References

PubMed DOI Target Context # Activities
21126871 10.1016/j.bmcl.2010.11.029 H4 1

Data from ChEMBL 36 via Core Engine