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Compound Detail

CHEMBL1972250

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C#Cc1cc2c(cc1OC)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2

Basic Information

ChEMBL ID CHEMBL1972250
Phase Preclinical
Structure Type MOL
InChI Key WOTLXQZLXOXMFD-UHFFFAOYSA-N
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
2.90
ALogP
4
HBA
1
HBD
74.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12N4O
MW 312.33
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.78

Activity Summary

Ki 10 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase Chk1
CHEMBL4630
Ki 7.4 7.4 39.8 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 6.6 6.6 251.2 1
Aurora kinase B
CHEMBL2185
Ki 6.3 6.3 501.2 1
Ribosomal protein S6 kinase alpha-3
CHEMBL2345
Ki 6.3 6.3 501.2 1
Tyrosine-protein kinase JAK2
CHEMBL2971
Ki 6.2 6.2 631.0 1
Serine/threonine-protein kinase Chk2
CHEMBL2527
Ki 6.1 6.1 794.3 1
Aurora kinase A
CHEMBL4722
Ki 6.1 6.1 794.3 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 5.6 5.6 2511.9 1
Ribosomal protein S6 kinase beta-1
CHEMBL4501
Ki 5.5 5.5 3162.3 1
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
Ki 5.3 5.3 5011.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine