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Compound Detail

CHEMBL4872325

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O=C(C(=O)N1CCN(c2ccc3nncn3n2)CC1)c1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4872325
Phase Preclinical
Structure Type MOL
InChI Key CBMHESXUNLTDBX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.2
MW (Da)
1.96
ALogP
7
HBA
0
HBD
83.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14Cl2N6O2
MW 405.25
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.50

Activity Summary

EC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cryptosporidium parvum
CHEMBL612855
 EC50 5.66 5.66 2200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cryptosporidium parvum EC50 = 2200.0 nM 5.66 Anti-cryptosporidial activity against Cryptosporidium parvum infected in HCT-8 c... 34342443

Literature References

PubMed DOI Target Context # Activities
34342443 10.1021/acs.jmedchem.1c01136 Cryptosporidium parvum 1

Data from ChEMBL 36 via Core Engine