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Compound Detail

CHEMBL5813932

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CCn1cc(-c2ccnc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)n2)c(-c2cccnc2)n1

Basic Information

ChEMBL ID CHEMBL5813932
Phase Preclinical
Structure Type MOL
InChI Key ABJRURCFVHZSQI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
4.45
ALogP
8
HBA
1
HBD
75.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N8
MW 466.59
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.76

Activity Summary

IC50 1 meas. best 8.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1
CHEMBL5903
IC50 8.21 8.21 6.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Activin receptor type-1 IC50 = 6.1 nM 8.21 Enzyme Inhibitory Assay: R206H: An overview of evaluation of an inhibitory effec... -

Data from ChEMBL 36 via Core Engine