Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL42429

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
OCC1C[C@@H](F)C(n2cnc3c(O)ncnc32)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL42429
Phase Preclinical
Structure Type MOL
InChI Key SLWSQPYUSBXANQ-KCZDEFFWSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
5
Publications
0
Known Names

Molecular Properties

254.2
MW (Da)
0.15
ALogP
7
HBA
2
HBD
93.3
PSA (Ų)
0.79
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 C10H11FN4O3
MW 254.22
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.52

Pharmacokinetic Data

Parameter Value Units Species
T1/2 - hr -

Literature References

PubMed DOI Target Context # Activities
10229630 10.1021/jm981097r CCRF-CEM 3
10229630 10.1021/jm981097r C3H/3T3 2
10229630 10.1021/jm981097r ADMET 1
10229630 10.1021/jm981097r No relevant target 1
10229630 10.1021/jm981097r Unchecked 1

Data from ChEMBL 36 via Core Engine