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Compound Detail

CHEMBL1213540

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Nc1nc(N)c2cc(/C=C/c3ccccc3)ccc2n1

Basic Information

ChEMBL ID CHEMBL1213540
Phase Preclinical
Structure Type MOL
InChI Key QJACNYODQYNYRG-VOTSOKGWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
2.96
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.70
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 C16H14N4
MW 262.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.30

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