Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4444206

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#CC(C)(C)c3ncc(C)o3)cc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4444206
Phase Preclinical
Structure Type MOL
InChI Key BVQAJAHFWBYNPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
3.07
ALogP
6
HBA
2
HBD
116.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25N5O3
MW 443.51
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
31531194 10.1021/acsmedchemlett.8b00658 ADMET 3
31531194 10.1021/acsmedchemlett.8b00658 Serine/threonine-protein kinase D1 2
31531194 10.1021/acsmedchemlett.8b00658 No relevant target 2
31531194 10.1021/acsmedchemlett.8b00658 Mitogen-activated protein kinase kinase kinase 14 1
31531194 10.1021/acsmedchemlett.8b00658 Unchecked 1
31531194 10.1021/acsmedchemlett.8b00658 Mitogen-activated protein kinase kinase kinase kinase 4 1
31531194 10.1021/acsmedchemlett.8b00658 Misshapen-like kinase 1 1
31531194 10.1021/acsmedchemlett.8b00658 Aurora kinase B 1

Data from ChEMBL 36 via Core Engine