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Compound Detail

CHEMBL5270196

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CN1CCN(c2ncc3[nH]nc(-c4cnn(C)c4)c3n2)CC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5270196
Phase Preclinical
Structure Type MOL
InChI Key HEJWDMSZDBYDME-UHFFFAOYSA-N
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
0.03
ALogP
7
HBA
1
HBD
95.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N8O
MW 312.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.88

Activity Summary

IC50 7 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 6.58 6.55 266.0 2
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 6.52 6.52 300.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 6.05 5.975 881.0 2
Activin receptor type-1
CHEMBL5903
 IC50 5.9 5.9 1250.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 3 IC50 = 266.0 nM 6.58 Inhibition of recombinant N-terminal His-Avi-tag human FGFR3 (447 to 761 residue... 36923909
Fibroblast growth factor receptor 3 IC50 = 300.0 nM 6.52 Enzymatic Assay: un-Phosphorylated (UP): The inhibitor potency of the exemplifie... -
Fibroblast growth factor receptor 2 IC50 = 300.0 nM 6.52 Enzymatic Assay: Phosphorylated (P): The inhibitor potency of the exemplified co... -
Fibroblast growth factor receptor 1 IC50 = 881.0 nM 6.05 Inhibition of recombinant human wild type FGFR1 (399 to 820 residues) using biot... 36923909
Activin receptor type-1 IC50 = 1250.0 nM 5.9 HTRF Assay (3 uM ATP): ALK2 (aa 147-end) was obtained from BPS biosciences. The ... -
Activin receptor type-1 IC50 = 1250.0 nM 5.9 HTRF Assay (100 uM ATP): ALK2 (aa 147-end) was obtained from BPS biosciences. Th... -
Fibroblast growth factor receptor 1 IC50 = 1250.0 nM 5.9 Enzymatic Assay: un-Phosphorylated (UP): The inhibitor potency of the exemplifie... -

Literature References

PubMed DOI Target Context # Activities
36923909 10.1021/acsmedchemlett.3c00003 Fibroblast growth factor receptor 3 1
36923909 10.1021/acsmedchemlett.3c00003 Fibroblast growth factor receptor 1 1
36923909 10.1021/acsmedchemlett.3c00003 Unchecked 1

Data from ChEMBL 36 via Core Engine