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Compound Detail

CHEMBL495042

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N=C(N)NCCN1C[C@H](O)[C@H](O)[C@H]1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL495042
Phase Preclinical
Structure Type MOL
InChI Key XQSUAMWKKQZJOK-DSYKOEDSSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

218.3
MW (Da)
-3.13
ALogP
5
HBA
6
HBD
125.8
PSA (Ų)
0.22
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H18N4O3
MW 218.26
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.06

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
17582660 10.1016/j.ejmech.2007.03.027 IAG-nucleoside hydrolase 1
20194690 10.1128/aac.01787-09 Unchecked 1
20194690 10.1128/aac.01787-09 Trypanosoma brucei brucei 1
20194690 10.1128/aac.01787-09 Trypanosoma cruzi 1
20194690 10.1128/aac.01787-09 Leishmania infantum 1
20194690 10.1128/aac.01787-09 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine