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Compound Detail

CHEMBL1213435

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CCCC(C)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1213435
Phase Preclinical
Structure Type MOL
InChI Key SEOUDLUVPQXRMF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
2.14
ALogP
8
HBA
3
HBD
135.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N8O
MW 394.48
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cryptosporidium parvum
CHEMBL612855
 IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cryptosporidium parvum IC50 = 1000.0 nM 6.0 Antimicrobial activity against Cryptosporidium parvum 20185316

Literature References

PubMed DOI Target Context # Activities
20185316 10.1016/j.bmc.2010.01.068 Cryptosporidium parvum 1

Data from ChEMBL 36 via Core Engine