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Compound Detail

CHEMBL3674550

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C/C(=N\NC(=O)c1ccncc1)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3674550
Phase Preclinical
Structure Type MOL
InChI Key GQNZUYWKSKMQKI-XODNFHPESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

441.4
MW (Da)
2.51
ALogP
9
HBA
1
HBD
123.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16FN9O
MW 441.43
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.95

Activity Summary

IC50 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 9.3 9.3 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 0.5 nM 9.3 Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase... -

Data from ChEMBL 36 via Core Engine