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

CHEMBL1202480

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
CCN(CC)CCN1C(=O)c2c(c3c4ccccc4n4c3c3c2c2ccccc2n3[C@H]2[C@@H](O)[C@H](OC)[C@@H](CO)O[C@H]24)C1=O.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1202480
Phase Preclinical
Structure Type MOL
InChI Key CBJPDCYOUKJMGQ-SUSZOLIASA-N
Parent Compound CHEMBL282761
Active Moiety CHEMBL282761
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

582.7
MW (Da)
3.66
ALogP
9
HBA
2
HBD
109.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H35ClN4O6
MW 619.12
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness 0.33

Activity Summary

IC50 3 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HT-29
CHEMBL384
 IC50 6.7 6.7 200.0 1
A549
CHEMBL392
 IC50 6.52 6.52 300.0 1
L1210
CHEMBL386
 IC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HT-29 IC50 = 200.0 nM 6.7 Antiproliferative activity in vitro against HT-29 (human colon carcinoma) cell l... 11882002
A549 IC50 = 300.0 nM 6.52 Antiproliferative activity in vitro against A549 (human non-small lung carcinoma... 11882002
L1210 IC50 = 400.0 nM 6.4 Antiproliferative activity tested in vitro against L1210 (murine leukemia) cell ... 11882002

Literature References

PubMed DOI Target Context # Activities
11882002 10.1021/jm011045t L1210 2
11882002 10.1021/jm011045t HT-29 1
11882002 10.1021/jm011045t A549 1
11882002 10.1021/jm011045t K562 1

Data from ChEMBL 36 via Core Engine