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

CHEMBL277931

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=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL277931
Phase Preclinical
Structure Type MOL
InChI Key ZVXCXEJBPDCMRL-UHFFFAOYSA-N
6
Targets
14
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
4.53
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17N5O
MW 367.41
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.62

Activity Summary

IC50 14 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase ABL1
CHEMBL1862
 IC50 6.4 6.4 400.0 2
Bcr/Abl fusion protein
CHEMBL2096618
 IC50 6.4 6.4 398.1 1
Protein kinase C alpha type
CHEMBL299
 IC50 5.92 5.92 1200.0 3
Platelet-derived growth factor receptor
CHEMBL2095189
 IC50 5.3 5.3 5000.0 3
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 4.8 4.8 15700.0 3
Protein kinase C delta type
CHEMBL2996
 IC50 4.64 4.64 23000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase ABL1 IC50 = 400.0 nM 6.4 Inhibition of v-Abl tyrosine kinase. -
Tyrosine-protein kinase ABL1 IC50 = 400.0 nM 6.4 Inhibitory concentration against v-Abl tyrosine kinase 16220969
Bcr/Abl fusion protein IC50 = 398.11 nM 6.4 Inhibition of BCR-ABL kinase (unknown origin) 23473682
Protein kinase C alpha type IC50 = 1200.0 nM 5.92 Inhibition of serine/threonine kinase(PKC-alpha) -
Protein kinase C alpha type IC50 = 1200.0 nM 5.92 Inhibition of protein kinase C alpha. -
Protein kinase C alpha type IC50 = 1200.0 nM 5.92 Inhibitory concentration against protein kinase C alpha 16220969
Platelet-derived growth factor receptor IC50 = 5000.0 nM 5.3 Inhibition of tyrosine kinase(PDGF-R) -
Platelet-derived growth factor receptor IC50 = 5000.0 nM 5.3 Inhibition of the platelet-derived growth factor receptor. -
Platelet-derived growth factor receptor IC50 = 5000.0 nM 5.3 Inhibitory concentration against platelet-derived growth factor receptor 16220969
Proto-oncogene tyrosine-protein kinase Src IC50 = 15700.0 nM 4.8 Inhibition of tyrosine kinase(c-Src) -
Proto-oncogene tyrosine-protein kinase Src IC50 = 15700.0 nM 4.8 Inhibition of c-Src-tyrosine kinase. -
Proto-oncogene tyrosine-protein kinase Src IC50 = 15700.0 nM 4.8 Inhibitory concentration against Src kinase 16220969
Protein kinase C delta type IC50 = 23000.0 nM 4.64 Inhibition of serine/threonine kinase(PKC-delta) -
Protein kinase C delta type IC50 = 23000.0 nM 4.64 Inhibition of protein kinase C delta. -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00601-4 Platelet-derived growth factor receptor 1
23473682 10.1016/j.bmcl.2013.01.113 Bcr/Abl fusion protein 1
16220969 10.1021/jm058225d Proto-oncogene tyrosine-protein kinase Src 1
16220969 10.1021/jm058225d Tyrosine-protein kinase ABL1 1
16220969 10.1021/jm058225d Protein kinase C alpha type 1
16220969 10.1021/jm058225d Platelet-derived growth factor receptor 1
- 10.1016/S0960-894X(96)00601-4 Protein kinase C delta type 1
- 10.1016/S0960-894X(96)00601-4 Protein kinase C alpha type 1
- 10.1016/S0960-894X(96)00601-4 cAMP-dependent protein kinase (PKA) 1
- 10.1016/0960-894X(96)00197-7 Platelet-derived growth factor receptor 1
- 10.1016/S0960-894X(96)00601-4 Proto-oncogene tyrosine-protein kinase Src 1
- 10.1016/S0960-894X(96)00601-4 Epidermal growth factor receptor 1
- 10.1016/S0960-894X(96)00601-4 Tyrosine-protein kinase ABL1 1
- 10.1016/0960-894X(96)00197-7 cAMP-dependent protein kinase (PKA) 1
- 10.1016/0960-894X(96)00197-7 Protein kinase C delta type 1
- 10.1016/0960-894X(96)00197-7 Protein kinase C alpha type 1
- 10.1016/0960-894X(96)00197-7 Proto-oncogene tyrosine-protein kinase Src 1
- 10.1016/0960-894X(96)00197-7 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine