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Compound Detail

CHEMBL3668000

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CC(C)c1cc(-c2cc(F)c(CO)c(F)c2)c2c(N)ncnn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3668000
Phase Preclinical
Structure Type MOL
InChI Key SOZVUFDUUVJPDR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
2.87
ALogP
5
HBA
2
HBD
76.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16F2N4O
MW 318.33
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.51

Activity Summary

IC50 1 meas. best 8.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1-like
CHEMBL5311
 IC50 8.72 8.72 1.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Activin receptor type-1-like IC50 = 1.9 nM 8.72 Flashplate Assay: In vitro enzyme inhibition using scintillation of incorporated... -

Data from ChEMBL 36 via Core Engine