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Compound Detail

CHEMBL3746627

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CCc1cc2c(cc1-c1ccncc1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3746627
Phase Preclinical
Structure Type MOL
InChI Key IVUXRXIUHJUOGX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
5.53
ALogP
3
HBA
1
HBD
69.5
PSA (Ų)
0.49
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21N3O
MW 391.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness 0.24

Activity Summary

IC50 2 meas. best 8.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SRSF protein kinase 1
CHEMBL4375
 IC50 8.58 8.58 2.6 1
SRSF protein kinase 2
CHEMBL5668
 IC50 7.88 7.88 13.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SRSF protein kinase 1 IC50 = 2.61 nM 8.58 Inhibition Assay: SRPK1 Inhibitory Activities of the Compounds. -
SRSF protein kinase 2 IC50 = 13.2 nM 7.88 Inhibition Assay: SRPK1 Inhibitory Activities of the Compounds. -

Literature References

PubMed DOI Target Context # Activities
26568289 10.1021/acs.jmedchem.5b01136 EML4-ALK 2
26568289 10.1021/acs.jmedchem.5b01136 ADMET 1

Data from ChEMBL 36 via Core Engine