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

CHEMBL76425

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
CCCCCCCCCCCCn1nnc(C(C#N)C(=O)Nc2c(C(C)C)cccc2C(C)C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL76425
Phase Preclinical
Structure Type MOL
InChI Key SXTOQJFHISQVRT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

480.7
MW (Da)
7.09
ALogP
6
HBA
1
HBD
96.5
PSA (Ų)
0.26
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H44N6O
MW 480.70
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
8691430 10.1021/jm960170f Sterol O-acyltransferase 1 2
8691430 10.1021/jm960170f Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine