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Compound Detail

CHEMBL3667990

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COc1cc(-c2cc([C@H]3CC[C@H](O)CC3)n3ncnc(N)c23)cc(F)c1CO

Basic Information

ChEMBL ID CHEMBL3667990
Phase Preclinical
Structure Type MOL
InChI Key RWORSPWJUTVGBW-AULYBMBSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
2.64
ALogP
7
HBA
3
HBD
105.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23FN4O3
MW 386.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.17

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1-like
CHEMBL5311
IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine