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Compound Detail

CHEMBL3667963

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CCCc1cc(-c2ccc(CO)cc2)c2c(N)ncnn12

Basic Information

ChEMBL ID CHEMBL3667963
Phase Preclinical
Structure Type MOL
InChI Key RPDDCKONLMNWLS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
2.42
ALogP
5
HBA
2
HBD
76.4
PSA (Ų)
0.77
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 C16H18N4O
MW 282.35
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.21

Activity Summary

IC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1-like
CHEMBL5311
IC50 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine