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

CHEMBL1914691

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
O=C1Nc2cccnc2C1=Cc1c[nH]c2ccc(F)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1914691
Phase Preclinical
Structure Type MOL
InChI Key QZVQRZAEPIVCQP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
3.19
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10FN3O
MW 279.27
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
22019188 10.1016/j.ejmech.2011.10.009 HepG2 1
22019188 10.1016/j.ejmech.2011.10.009 ADMET 1
22019188 10.1016/j.ejmech.2011.10.009 PC-3 1
22019188 10.1016/j.ejmech.2011.10.009 K562 1
22019188 10.1016/j.ejmech.2011.10.009 HL-60 1
22019188 10.1016/j.ejmech.2011.10.009 HCT-116 1
22019188 10.1016/j.ejmech.2011.10.009 A549 1

Data from ChEMBL 36 via Core Engine