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

CHEMBL431227

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
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL431227
Phase Preclinical
Structure Type MOL
InChI Key KKKZIJAWZWHALO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

496.0
MW (Da)
5.03
ALogP
5
HBA
0
HBD
93.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22ClN3O4S
MW 495.99
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00558-6 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine