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

CHEMBL151677

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=C1/C(=C/c2ccc(N3CC3)cc2)CNC/C1=C\c1ccc(N2CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL151677
Phase Preclinical
Structure Type MOL
InChI Key AZDOZKRMFCWUDT-IWGRKNQJSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

357.5
MW (Da)
2.97
ALogP
4
HBA
1
HBD
35.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N3O
MW 357.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.50

Activity Summary

IC50 6 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
P388
CHEMBL389
 IC50 6.19 6.19 640.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
P388 IC50 = 640.0 nM 6.19 Cytotoxicity against murine P388 cells. 11170648

Literature References

PubMed DOI Target Context # Activities
11170648 10.1021/jm0002580 L1210 4
11170648 10.1021/jm0002580 P388 1
11170648 10.1021/jm0002580 NON-PROTEIN TARGET 1
11170648 10.1021/jm0002580 CCRF-CEM 1
11170648 10.1021/jm0002580 Unchecked 1

Data from ChEMBL 36 via Core Engine