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Compound Detail

CHEMBL315270

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O=C(Oc1cccnc1C(=O)Nc1nccs1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL315270
Phase Preclinical
Structure Type MOL
InChI Key FRFLNGYWZCTYKA-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
3.01
ALogP
6
HBA
1
HBD
81.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11N3O3S
MW 325.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.49

Activity Summary

IC50 4 meas. best 5.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 1
CHEMBL2526
IC50 5.99 5.99 1030.0 2
Methionine aminopeptidase
CHEMBL3423
IC50 5.91 5.91 1220.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12801227 10.1021/jm0300532 Methionine aminopeptidase 1
12801227 10.1021/jm0300532 Methionine aminopeptidase 1 1
12801227 10.1021/jm0300532 Unchecked 1
15664828 10.1016/j.bmcl.2004.11.034 Methionine aminopeptidase 1
15664828 10.1016/j.bmcl.2004.11.034 Methionine aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine