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

CHEMBL1443205

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
c1ccc(-c2nc(N3CCCCCC3)c3ccccc3n2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1443205
Phase Preclinical
Structure Type MOL
InChI Key GDFHWMRKPNTHRO-UHFFFAOYSA-N
6
Targets
13
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
4.07
ALogP
4
HBA
0
HBD
41.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4
MW 304.40
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.57

Activity Summary

EC50 10 meas. best 6.07
IC50 3 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
 IC50 7.0 7.0 100.0 1
Unchecked
CHEMBL612545
 IC50 6.52 5.925 304.0 2
Unchecked
CHEMBL612545
 EC50 6.07 5.2425 845.0 4
Streptococcus sp. 'group A'
CHEMBL612389
 EC50 6.02 6.02 947.0 1
Streptococcus
CHEMBL612313
 EC50 5.93 5.93 1187.0 1
Streptokinase A
CHEMBL1293228
 EC50 5.85 5.85 1425.0 1
BJ
CHEMBL614358
 EC50 5.02 4.6333 9587.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma cruzi IC50 = 100.0 nM 7.0 Antitrypanosomal activity against intracellular Trypanosoma cruzi infected in hu... 36607408
Unchecked IC50 = 304.0 nM 6.52 PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... -
Unchecked EC50 = 845.0 nM 6.07 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... -
Streptococcus sp. 'group A' EC50 = 947.0 nM 6.02 PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... -
Streptococcus EC50 = 1187.0 nM 5.93 PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... -
Streptokinase A EC50 = 1425.0 nM 5.85 PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... -
Unchecked EC50 = 2243.0 nM 5.65 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... -
Unchecked IC50 = 4710.0 nM 5.33 PubChem BioAssay. Dose Response confirmation of small molecule inhibitors origin... -
BJ EC50 = 9587.0 nM 5.02 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... -
Unchecked EC50 = 21036.0 nM 4.68 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... -
BJ EC50 = 25695.0 nM 4.59 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... -
Unchecked EC50 = 27100.0 nM 4.57 PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... -
BJ EC50 = 50662.0 nM 4.29 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... -

Literature References

PubMed DOI Target Context # Activities
36607408 10.1021/acs.jmedchem.2c00775 Trypanosoma cruzi 1
36607408 10.1021/acs.jmedchem.2c00775 ADMET 1

Data from ChEMBL 36 via Core Engine