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

CHEMBL5928702

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(OCCN5CCCCC5)cn4)cnc23)c2cccnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5928702
Phase Preclinical
Structure Type MOL
InChI Key YCFHQBMHEXTGMF-UHFFFAOYSA-N
5
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.6
MW (Da)
4.87
ALogP
7
HBA
0
HBD
68.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N6O
MW 450.55
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.49

Activity Summary

IC50 12 meas. best 7.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1
CHEMBL5903
 IC50 7.03 6.9533 94.0 3
Activin receptor type-1-like
CHEMBL5311
 IC50 6.59 6.59 257.0 1
Unchecked
CHEMBL612545
 IC50 6.59 6.53 257.0 2
Bone morphogenetic protein receptor type-1A
CHEMBL5275
 IC50 5.71 5.6333 1970.0 3
Bone morphogenetic protein receptor type-1B
CHEMBL5476
 IC50 5.39 5.2967 4080.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Activin receptor type-1 IC50 = 94.0 nM 7.03 ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra... -
Activin receptor type-1 IC50 = 94.0 nM 7.03 Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ... -
Activin receptor type-1 IC50 = 157.0 nM 6.8 ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra... -
Unchecked IC50 = 257.0 nM 6.59 ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra... -
Activin receptor type-1-like IC50 = 257.0 nM 6.59 Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ... -
Unchecked IC50 = 341.0 nM 6.47 ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra... -
Bone morphogenetic protein receptor type-1A IC50 = 1970.0 nM 5.71 ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra... -
Bone morphogenetic protein receptor type-1A IC50 = 1970.0 nM 5.71 Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ... -
Bone morphogenetic protein receptor type-1A IC50 = 3280.0 nM 5.48 ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra... -
Bone morphogenetic protein receptor type-1B IC50 = 4080.0 nM 5.39 ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra... -
Bone morphogenetic protein receptor type-1B IC50 = 4080.0 nM 5.39 Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ... -
Bone morphogenetic protein receptor type-1B IC50 = 7850.0 nM 5.11 ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra... -

Data from ChEMBL 36 via Core Engine