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Compound Detail

CHEMBL6027116

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CC(C)[C@H](O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(F)(C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6027116
Phase Preclinical
Structure Type MOL
InChI Key BIHSYLWQKMOVRV-IGEOTXOUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
3.72
ALogP
6
HBA
2
HBD
86.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20F4N4O2
MW 400.38
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.38

Activity Summary

Kd 1 meas. best 9.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase kinase kinase 12
CHEMBL1908389
 Kd 9.62 9.62 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase kinase kinase 12 Kd = 0.24 nM 9.62 DLK Kd Determinations: A fusion protein of full length of human DLK (amino acids... -

Data from ChEMBL 36 via Core Engine