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Compound Detail

CHEMBL5897699

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O=C(O)c1cccc(-c2n[nH]c3ccccc23)c1

Basic Information

ChEMBL ID CHEMBL5897699
Phase Preclinical
Structure Type MOL
InChI Key FEOVMUZHGLJSAV-UHFFFAOYSA-N
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
2.93
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10N2O2
MW 238.25
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.99

Activity Summary

IC50 7 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity mitogen-activated protein kinase kinase 4
CHEMBL2897
IC50 6.75 6.4267 180.0 3
Mitogen-activated protein kinase 1
CHEMBL4040
IC50 5.14 5.14 7200.0 1
Unchecked
CHEMBL612545
IC50 5.08 5.08 8300.0 1
Mitogen-activated protein kinase 6
CHEMBL5121
IC50 5.0 5.0 10000.0 1
MAP kinase-activated protein kinase 3
CHEMBL4670
IC50 4.8 4.8 16000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine