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Compound Detail

CHEMBL5899920

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CCN1CC2CCC(C1=O)N2c1ncc2[nH]nc(-c3cnn(C)c3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5899920
Phase Preclinical
Structure Type MOL
InChI Key HHMHILFPMQUSBF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
0.95
ALogP
7
HBA
1
HBD
95.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N8O
MW 352.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.32

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 1 IC50 = 300.0 nM 6.52 Enzymatic Assay: un-Phosphorylated (UP): The inhibitor potency of the exemplifie... -

Data from ChEMBL 36 via Core Engine