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Compound Detail

CHEMBL1968103

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Cc1c(F)c(N2CCC(N)C2)nc2[nH]cc(C(=O)O)c(=O)c12

Basic Information

ChEMBL ID CHEMBL1968103
Phase Preclinical
Structure Type MOL
InChI Key DKDZXPOLPBFKGD-UHFFFAOYSA-N
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
0.61
ALogP
5
HBA
3
HBD
112.3
PSA (Ų)
0.75
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 C14H15FN4O3
MW 306.30
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.62

Activity Summary

Ki 6 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Megakaryocyte-associated tyrosine-protein kinase
CHEMBL4175
Ki 5.7 5.7 1995.3 1
Ribosomal protein S6 kinase beta-1
CHEMBL4501
Ki 5.7 5.7 1995.3 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 5.5 5.5 3162.3 1
Serine/threonine-protein kinase pim-3
CHEMBL5407
Ki 5.3 5.3 5011.9 1
Aurora kinase B
CHEMBL2185
Ki 5.2 5.2 6309.6 1
MAP kinase-activated protein kinase 3
CHEMBL4670
Ki 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine