Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5957617

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
c1cc(-c2cnn3cc(-c4ccc(O[C@H]5CCNC5)cn4)cnc23)c2cccnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5957617
Phase Preclinical
Structure Type MOL
InChI Key ABOWQJUFRKXEIL-SFHVURJKSA-N
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
3.75
ALogP
7
HBA
1
HBD
77.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20N6O
MW 408.47
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.08

Activity Summary

IC50 8 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1
CHEMBL5903
 IC50 7.47 7.47 34.0 2
Activin receptor type-1-like
CHEMBL5311
 IC50 6.85 6.85 140.0 1
Unchecked
CHEMBL612545
 IC50 6.85 6.85 140.0 1
Bone morphogenetic protein receptor type-1A
CHEMBL5275
 IC50 5.49 5.49 3208.0 2
Bone morphogenetic protein receptor type-1B
CHEMBL5476
 IC50 4.29 4.29 50720.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Activin receptor type-1 IC50 = 34.0 nM 7.47 ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra... -
Activin receptor type-1 IC50 = 34.0 nM 7.47 Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ... -
Unchecked IC50 = 140.0 nM 6.85 ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra... -
Activin receptor type-1-like IC50 = 140.0 nM 6.85 Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ... -
Bone morphogenetic protein receptor type-1A IC50 = 3208.0 nM 5.49 ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra... -
Bone morphogenetic protein receptor type-1A IC50 = 3208.0 nM 5.49 Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ... -
Bone morphogenetic protein receptor type-1B IC50 = 50720.0 nM 4.29 ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra... -
Bone morphogenetic protein receptor type-1B IC50 = 50720.0 nM 4.29 Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ... -

Data from ChEMBL 36 via Core Engine