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Compound Detail

CHEMBL6011920

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Fc1cnccc1Nc1nc(-c2ccccn2)nc2[nH]ccc12

Basic Information

ChEMBL ID CHEMBL6011920
Phase Preclinical
Structure Type MOL
InChI Key OFFLEANUVDDEBL-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
3.30
ALogP
5
HBA
2
HBD
79.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11FN6
MW 306.30
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.66

Activity Summary

IC50 2 meas. best 9.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 9.59 9.59 0.3 1
TGF-beta receptor type-2
CHEMBL4267
IC50 6.82 6.82 150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine