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

CHEMBL472978

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
CCn1c(-c2cc3c(s2)CCCC3)n[nH]c1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL472978
Phase Preclinical
Structure Type MOL
InChI Key CVUAXARMLVWZNV-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

265.4
MW (Da)
3.57
ALogP
4
HBA
1
HBD
33.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N3S2
MW 265.41
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -2.41

Activity Summary

IC50 4 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ADMET
CHEMBL612558
 IC50 6.92 6.63 120.0 2
PBL
CHEMBL614233
 IC50 6.54 6.14 290.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ADMET IC50 = 120.0 nM 6.92 Cytotoxicity against solid form of Graffi myeloid tumor bearing hamster thymocyt... 18439727
PBL IC50 = 290.0 nM 6.54 Cytotoxicity against PBL isolated from solid form of Graffi myeloid tumor bearin... 18439727
ADMET IC50 = 460.0 nM 6.34 Cytotoxicity against thymocytes isolated from solid form of Graffi myeloid tumor... 18439727
PBL IC50 = 1810.0 nM 5.74 Cytotoxicity against solid form of Graffi myeloid tumor bearing hamster PBL afte... 18439727

Literature References

PubMed DOI Target Context # Activities
18439727 10.1016/j.ejmech.2008.03.006 ADMET 10
18439727 10.1016/j.ejmech.2008.03.006 PBL 6

Data from ChEMBL 36 via Core Engine