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Compound Detail

CHEMBL6029778

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Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccncc3C)cc2F)cc1

Basic Information

ChEMBL ID CHEMBL6029778
Phase Preclinical
Structure Type MOL
InChI Key XXHHVHVEBOJTAY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

473.6
MW (Da)
6.76
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28FN5O2
MW 473.55
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.92

Activity Summary

IC50 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 7.17 7.17 67.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine