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Compound Detail

CHEMBL5897331

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Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3[nH]ccc23)c(C2CC2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5897331
Phase Preclinical
Structure Type MOL
InChI Key NLTJLIGESBNQSN-UHFFFAOYSA-N
5
Targets
16
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.8
MW (Da)
6.04
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16ClFN4
MW 378.84
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.03

Activity Summary

IC50 16 meas. best 8.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1B
CHEMBL5310
 IC50 8.57 8.57 2.7 3
TGF-beta receptor type-1
CHEMBL4439
 IC50 8.21 8.21 6.1 3
Activin receptor type-1-like
CHEMBL5311
 IC50 5.59 5.59 2540.0 4
Bone morphogenetic protein receptor type-1A
CHEMBL5275
 IC50 5.48 5.48 3330.0 3
Activin receptor type-1
CHEMBL5903
 IC50 5.23 5.23 5840.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Activin receptor type-1B IC50 = 2.7 nM 8.57 In Vitro Kinase Assay Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the inve... -
Activin receptor type-1B IC50 = 2.7 nM 8.57 In Vitro Kinase Assay: Compound of the invention were screened in an in vitro ki... -
Activin receptor type-1B IC50 = 2.7 nM 8.57 In Vitro Kinase Assay - Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the in... -
TGF-beta receptor type-1 IC50 = 6.1 nM 8.21 In Vitro Kinase Assay Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the inve... -
TGF-beta receptor type-1 IC50 = 6.1 nM 8.21 In Vitro Kinase Assay: Compound of the invention were screened in an in vitro ki... -
TGF-beta receptor type-1 IC50 = 6.1 nM 8.21 In Vitro Kinase Assay - Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the in... -
Activin receptor type-1-like IC50 = 2540.0 nM 5.59 In Vitro Kinase Assay Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the inve... -
Activin receptor type-1-like IC50 = 2540.0 nM 5.59 In Vitro Kinase Assay: Compound of the invention were screened in an in vitro ki... -
Activin receptor type-1-like IC50 = 2540.0 nM 5.59 In Vitro Kinase Assay - Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the in... -
Activin receptor type-1-like IC50 = 2540.0 nM 5.59 In Vitro Kinase Assay - Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the in... -
Bone morphogenetic protein receptor type-1A IC50 = 3330.0 nM 5.48 In Vitro Kinase Assay Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the inve... -
Bone morphogenetic protein receptor type-1A IC50 = 3330.0 nM 5.48 In Vitro Kinase Assay: Compound of the invention were screened in an in vitro ki... -
Bone morphogenetic protein receptor type-1A IC50 = 3330.0 nM 5.48 In Vitro Kinase Assay - Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the in... -
Activin receptor type-1 IC50 = 5840.0 nM 5.23 In Vitro Kinase Assay Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the inve... -
Activin receptor type-1 IC50 = 5840.0 nM 5.23 In Vitro Kinase Assay: Compound of the invention were screened in an in vitro ki... -
Activin receptor type-1 IC50 = 5840.0 nM 5.23 In Vitro Kinase Assay - Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the in... -

Data from ChEMBL 36 via Core Engine