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Compound Detail

CHEMBL4517096

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Cc1cnc(C(C)(C)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C4CC4)n2C2CC3C2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4517096
Phase Preclinical
Structure Type MOL
InChI Key IAXMTTOIYPZWFX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
4.58
ALogP
5
HBA
1
HBD
86.9
PSA (Ų)
0.62
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 C26H26N4O2
MW 426.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.57

Literature References

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

Data from ChEMBL 36 via Core Engine