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Compound Detail

CHEMBL1213436

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CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CO)CCO)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1213436
Phase Preclinical
Structure Type MOL
InChI Key ABVQCGQVEIRNAO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.4
MW (Da)
-0.31
ALogP
10
HBA
5
HBD
176.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N8O3
MW 412.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.61

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cryptosporidium parvum
CHEMBL612855
 IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cryptosporidium parvum IC50 = 2000.0 nM 5.7 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