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Compound Detail

CHEMBL1095483

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N=c1oc2c(O)c(O)ccc2cc1C(=O)NCCCCNC(=O)c1cc2ccc(O)c(O)c2oc1=N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1095483
Phase Preclinical
Structure Type MOL
InChI Key IEPGJHAKNHDXTF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

494.5
MW (Da)
1.90
ALogP
10
HBA
8
HBD
213.1
PSA (Ų)
0.14
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 C24H22N4O8
MW 494.46
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.03

Activity Summary

IC50 1 meas. best 5.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.37 5.37 4300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 4300.0 nM 5.37 Inhibition of sheep brain dynamin 1 by malachite green GTPase assay 20426422

Literature References

PubMed DOI Target Context # Activities
20426422 10.1021/jm100119c Unchecked 1

Data from ChEMBL 36 via Core Engine