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

CHEMBL6269

SC-58272
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
Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6269
Name SC-58272
Phase Preclinical
Structure Type MOL
InChI Key WHLPIOSHBKQGHA-KYJUHHDHSA-N
3
Targets
10
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

596.8
MW (Da)
2.93
ALogP
7
HBA
5
HBD
151.4
PSA (Ų)
0.16
QED
1
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C33H52N6O4
MW 596.82
Aromatic Rings 2
Heavy Atoms 43
NP-Likeness -0.45

Activity Summary

IC50 10 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycylpeptide N-tetradecanoyltransferase
CHEMBL5484
 IC50 7.62 7.62 24.0 1
Peptide N-myristoyltransferase
CHEMBL2096973
 IC50 7.25 6.0543 56.0 7
Glycylpeptide N-tetradecanoyltransferase 1
CHEMBL2593
 IC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycylpeptide N-tetradecanoyltransferase IC50 = 24.0 nM 7.62 Inhibition of Saccharomyces cerevisiae NMT 17513302
Peptide N-myristoyltransferase IC50 = 56.0 nM 7.25 Inhibition of Candida albicans N-myristoyltransferase (NMT) with peptide GNAASAR... -
Peptide N-myristoyltransferase IC50 = 56.0 nM 7.25 Inhibitory activity against Candida albicans N-Myristoyltransferase (NMT). 7783114
Peptide N-myristoyltransferase IC50 = 56.0 nM 7.25 Inhibition activity against N-myristoyltransferase (NMT) of candida albicans. 9258368
Glycylpeptide N-tetradecanoyltransferase 1 IC50 = 60.0 nM 7.22 Compound was tested for its inhibitory activity against Candida albicans N-Myris... -
Peptide N-myristoyltransferase IC50 = 830.0 nM 6.08 Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt) 11459642
Peptide N-myristoyltransferase IC50 = 14100.0 nM 4.85 Tested for Inhibitory concentration against human N-myristoyltransferase (NMT) i... -
Peptide N-myristoyltransferase IC50 = 14100.0 nM 4.85 Inhibitory activity against human N-Myristoyltransferase (NMT). 7783114
Peptide N-myristoyltransferase IC50 = 14100.0 nM 4.85 Inhibition activity against N-myristoyltransferase (NMT) of human. 9258368

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00030-9 Peptide N-myristoyltransferase 4
7783114 10.1021/jm00011a001 Peptide N-myristoyltransferase 3
9258368 10.1021/jm970094w Peptide N-myristoyltransferase 3
11459642 10.1016/s0960-894x(01)00319-5 Peptide N-myristoyltransferase 2
- 10.1016/S0960-894X(97)00030-9 Unchecked 1
7783114 10.1021/jm00011a001 Unchecked 1
11459642 10.1016/s0960-894x(01)00319-5 Candida albicans 1
9526574 10.1021/jm980001q Glycylpeptide N-tetradecanoyltransferase 1
- 10.1016/0960-894X(96)00354-X Glycylpeptide N-tetradecanoyltransferase 1 1
17513302 10.1074/jbc.m702696200 Glycylpeptide N-tetradecanoyltransferase 1

Data from ChEMBL 36 via Core Engine