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Compound Detail

CHEMBL2359315

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CCCCCCCCCCOCC(O)CN.Cl

Basic Information

ChEMBL ID CHEMBL2359315
Phase Preclinical
Structure Type MOL
InChI Key JZGHZXCZUAJOSA-UHFFFAOYSA-N
Parent Compound CHEMBL1569318
Active Moiety CHEMBL1569318
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

231.4
MW (Da)
2.46
ALogP
3
HBA
2
HBD
55.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H30ClNO2
MW 267.84
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.29

Activity Summary

IC50 1 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.18 5.18 6546.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 6546.5 nM 5.18 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... -

Data from ChEMBL 36 via Core Engine