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Compound Detail

CHEMBL87610

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O=C(Nc1ccccc1)Nc1cc(C2CCCCC2)nn1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL87610
Phase Preclinical
Structure Type MOL
InChI Key GKENYYBBXHLOLY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
5.56
ALogP
3
HBA
2
HBD
59.0
PSA (Ų)
0.64
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 C22H24N4O
MW 360.46
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.67

Literature References

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

Data from ChEMBL 36 via Core Engine