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Compound Detail

CHEMBL5972606

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CCn1cc(-c2ccnc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)n2)c(-c2cccnc2)n1

Basic Information

ChEMBL ID CHEMBL5972606
Phase Preclinical
Structure Type MOL
InChI Key OZFLAMMOQXKURE-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
4.70
ALogP
8
HBA
1
HBD
75.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N8
MW 468.61
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.85

Activity Summary

IC50 2 meas. best 8.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1
CHEMBL5903
IC50 8.26 8.22 5.5 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine