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Compound Detail

CHEMBL307340

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N#Cc1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1

Basic Information

ChEMBL ID CHEMBL307340
Phase Preclinical
Structure Type MOL
InChI Key LHDHGTQRVCVMKJ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
4.68
ALogP
3
HBA
1
HBD
65.4
PSA (Ų)
0.60
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 C21H14N4
MW 322.37
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.20

Activity Summary

IC50 2 meas. best 7.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAF proto-oncogene serine/threonine-protein kinase
CHEMBL1906
IC50 7.07 7.07 86.0 1
MAP kinase p38
CHEMBL2094115
IC50 6.01 6.01 970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10377223 10.1021/jm9805236 MAP kinase p38 1
10377223 10.1021/jm9805236 RAF proto-oncogene serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine