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

CHEMBL5902423

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
Cc1cc(NC(=O)c2c(C#CCN3CCOCC3)n(C3(C)CC3)c3ncnc(N)c23)n[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5902423
Phase Preclinical
Structure Type MOL
InChI Key MXBRHEFPFHSZLC-UHFFFAOYSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
1.49
ALogP
8
HBA
3
HBD
127.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N8O2
MW 434.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.08

Activity Summary

IC50 6 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
 IC50 10.0 10.0 0.1 4
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 8.08 8.08 8.4 1
Tyrosine-protein kinase Lck
CHEMBL258
 IC50 6.39 6.39 407.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proto-oncogene tyrosine-protein kinase receptor Ret IC50 = 0.1 nM 10.0 Measurement of RET Inhibitory Activity: To measure the inhibitory activity, firs... -
Proto-oncogene tyrosine-protein kinase receptor Ret IC50 = 0.1 nM 10.0 Inhibitory Activity Assay: To measure the inhibitory activity, first, the compou... -
Proto-oncogene tyrosine-protein kinase receptor Ret IC50 = 0.1 nM 10.0 Inhibitory Activity Assay: To measure the inhibitory activity, first, the compou... -
Proto-oncogene tyrosine-protein kinase receptor Ret IC50 = 0.1 nM 10.0 Measurement of RET Inhibitory Activity (In Vitro): Regarding the conditions for ... -
Proto-oncogene tyrosine-protein kinase Src IC50 = 8.4 nM 8.08 SRC Inhibitory Activity Measurement: Regarding the conditions for measurement of... -
Tyrosine-protein kinase Lck IC50 = 407.0 nM 6.39 LCK Inhibitory Activity Measurement: Regarding the conditions for measurement of... -

Data from ChEMBL 36 via Core Engine