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Compound Detail

CHEMBL20926

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Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2cccnc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL20926
Phase Preclinical
Structure Type MOL
InChI Key UOEJSOXEHKCNAE-UHFFFAOYSA-N
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
4.84
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.52
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 C23H19N5O
MW 381.44
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.73

Activity Summary

IC50 9 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2095189
 IC50 7.0 7.0 100.0 2
Platelet-derived growth factor receptor
CHEMBL2096980
 IC50 7.0 7.0 100.0 1
Tyrosine-protein kinase ABL1
CHEMBL1862
 IC50 6.4 5.65 400.0 2
Bcr/Abl fusion protein
CHEMBL2096618
 IC50 6.4 6.4 398.1 1
Epidermal growth factor receptor
CHEMBL203
 IC50 4.19 4.19 65000.0 1
Protein kinase C alpha type
CHEMBL299
 IC50 4.14 4.14 72000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor IC50 = 100.0 nM 7.0 Inhibition of tyrosine kinase(PDGF-R) -
Platelet-derived growth factor receptor IC50 = 100.0 nM 7.0 Inhibition of the platelet-derived growth factor receptor. -
Platelet-derived growth factor receptor IC50 = 100.0 nM 7.0 Inhibition of PDGFR autophosphorylation in mouse Swiss 3T3 fibroblast by immunob... 17983688
Tyrosine-protein kinase ABL1 IC50 = 400.0 nM 6.4 Inhibition of v-Abl tyrosine kinase. -
Bcr/Abl fusion protein IC50 = 398.11 nM 6.4 Inhibition of BCR-ABL kinase (unknown origin) 23473682
Tyrosine-protein kinase ABL1 IC50 = 12700.0 nM 4.9 Inhibition of Abl using DAIpYAAPFAKKK phosphopeptide as substrate by MALDI-MS an... 22033461
Epidermal growth factor receptor IC50 = 65000.0 nM 4.19 Inhibition of the epidermal growth factor receptor. -
Protein kinase C alpha type IC50 = 72000.0 nM 4.14 Inhibition of serine/threonine kinase(PKC-alpha) -
Protein kinase C alpha type IC50 = 72000.0 nM 4.14 Inhibition of protein kinase C alpha. -

Literature References

PubMed DOI Target Context # Activities
22033461 10.1016/j.bmcl.2011.09.127 Tyrosine-protein kinase ABL1 2
- 10.1016/0960-894X(96)00197-7 Platelet-derived growth factor receptor 1
- 10.1016/0960-894X(96)00197-7 Epidermal growth factor receptor 1
- 10.1016/0960-894X(96)00197-7 Proto-oncogene tyrosine-protein kinase Src 1
- 10.1016/0960-894X(96)00197-7 Protein kinase C alpha type 1
- 10.1016/0960-894X(96)00197-7 Protein kinase C delta type 1
- 10.1016/0960-894X(96)00197-7 cAMP-dependent protein kinase (PKA) 1
- 10.1016/S0960-894X(96)00601-4 Tyrosine-protein kinase ABL1 1
- 10.1016/S0960-894X(96)00601-4 Epidermal 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 Platelet-derived growth factor receptor 1
- 10.1016/S0960-894X(96)00601-4 cAMP-dependent protein kinase (PKA) 1
- 10.1016/S0960-894X(96)00601-4 Protein kinase C alpha type 1
- 10.1016/S0960-894X(96)00601-4 Protein kinase C delta type 1
17983688 10.1016/j.ejmech.2007.09.021 Platelet-derived growth factor receptor 1
23473682 10.1016/j.bmcl.2013.01.113 Bcr/Abl fusion protein 1

Data from ChEMBL 36 via Core Engine