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Compound Detail

CHEMBL5976059

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CN1CC2CCC(C1=O)N2c1ncc2[nH]nc(-c3cnn(Cc4ccncc4)c3)c2n1

Basic Information

ChEMBL ID CHEMBL5976059
Phase Preclinical
Structure Type MOL
InChI Key QJLTYACRBMYTNB-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
1.47
ALogP
8
HBA
1
HBD
108.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N9O
MW 415.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.23

Activity Summary

IC50 3 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
Activin receptor type-1
CHEMBL5903
IC50 5.9 5.9 1250.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine