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Compound Detail

CHEMBL3667984

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Cc1cc(-c2cc(CN3CCOCC3)n3ncnc(N)c23)ccc1CO

Basic Information

ChEMBL ID CHEMBL3667984
Phase Preclinical
Structure Type MOL
InChI Key VBEWWHQIKLOZMW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
1.61
ALogP
7
HBA
2
HBD
88.9
PSA (Ų)
0.74
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 C19H23N5O2
MW 353.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.84

Activity Summary

IC50 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1-like
CHEMBL5311
IC50 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Activin receptor type-1-like IC50 = 30.0 nM 7.52 Flashplate Assay: In vitro enzyme inhibition using scintillation of incorporated... -

Data from ChEMBL 36 via Core Engine