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Compound Detail

CHEMBL313515

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CC(C)(C)c1cc(NC(N)=O)n(-c2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL313515
Phase Preclinical
Structure Type MOL
InChI Key RDJZUHCXQSKIBK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
2.66
ALogP
3
HBA
2
HBD
72.9
PSA (Ų)
0.87
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 C14H18N4O
MW 258.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.88

Literature References

PubMed DOI Target Context # Activities
12086485 10.1021/jm020057r MAP kinase p38 2
15115396 10.1021/jm0304358 MAP kinase p38 1

Data from ChEMBL 36 via Core Engine