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Compound Detail

CHEMBL71150

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C=C(/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)NCCCNCCCCNCCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C

Basic Information

ChEMBL ID CHEMBL71150
Phase Preclinical
Structure Type MOL
InChI Key ZIWFFAQWMOGGIZ-XBQKJNNLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

765.2
MW (Da)
12.01
ALogP
4
HBA
4
HBD
65.2
PSA (Ų)
0.04
QED
2
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C51H80N4O
MW 765.23
Aromatic Rings 0
Heavy Atoms 56
NP-Likeness 0.80

Activity Summary

Ki 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 500.0 nM 6.3 Inhibition of Dictyostelium discoideum AX2 RNase P by double reciprocal plot 19216007

Literature References

PubMed DOI Target Context # Activities
19216007 10.1016/j.ejmech.2009.01.001 Unchecked 1

Data from ChEMBL 36 via Core Engine