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Compound Detail

CHEMBL6010768

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FC1(F)CCN(c2nc(Nc3cc(Cl)ccn3)cc(C3CCN(C4COC4)CC3)n2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6010768
Phase Preclinical
Structure Type MOL
InChI Key XLGCPZYYAMCODA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.9
MW (Da)
3.69
ALogP
7
HBA
1
HBD
66.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25ClF2N6O
MW 450.92
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.98

Activity Summary

Ki 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase kinase kinase 12
CHEMBL1908389
 Ki 7.8 7.8 16.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase kinase kinase 12 Ki = 16.0 nM 7.8 TR-FRET assay: DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tag... -

Data from ChEMBL 36 via Core Engine