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Compound Detail

CHEMBL5995749

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CCCCNc1ncc2c(-c3ccc(F)cc3)nc(C3CCC(N)CC3)n2n1

Basic Information

ChEMBL ID CHEMBL5995749
Phase Preclinical
Structure Type MOL
InChI Key TTYDVCDNMUIXQC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
4.13
ALogP
6
HBA
2
HBD
81.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27FN6
MW 382.49
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.20

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine