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Compound Detail

CHEMBL502945

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O=C(Cn1c2ccccc2n2ncnc12)c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL502945
Phase Preclinical
Structure Type MOL
InChI Key JWAWJPLCMJABNS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
2.63
ALogP
6
HBA
0
HBD
52.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10N4OS
MW 282.33
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness -2.18

Literature References

PubMed DOI Target Context # Activities
18783202 10.1021/jm800539g Serine/threonine-protein kinase B-raf 1

Data from ChEMBL 36 via Core Engine