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Compound Detail

CHEMBL5432402

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COC[C@@H](CC(C)C)NC1=N/C(=C\c2ccc3scnc3c2)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5432402
Phase Preclinical
Structure Type MOL
InChI Key YOSRIYYLHDRWBY-ATDKOCKZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

358.5
MW (Da)
2.77
ALogP
6
HBA
2
HBD
75.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4O2S
MW 358.47
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
38051674 10.1021/acs.jmedchem.3c01888 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 5
38051674 10.1021/acs.jmedchem.3c01888 Dual specificity protein kinase CLK1 4
38051674 10.1021/acs.jmedchem.3c01888 Dual specificity protein kinase CLK4 3
38051674 10.1021/acs.jmedchem.3c01888 Dual specificity tyrosine-phosphorylation-regulated kinase 2 3
38051674 10.1021/acs.jmedchem.3c01888 Dual specificity protein kinase CLK3 3
38051674 10.1021/acs.jmedchem.3c01888 Unchecked 3
38051674 10.1021/acs.jmedchem.3c01888 AP2-associated protein kinase 1 3
38051674 10.1021/acs.jmedchem.3c01888 Dual specificity tyrosine-phosphorylation-regulated kinase 1B 3
38051674 10.1021/acs.jmedchem.3c01888 Cyclin-dependent kinase-like 3 2
38051674 10.1021/acs.jmedchem.3c01888 Cyclin-dependent kinase-like 4 2
38051674 10.1021/acs.jmedchem.3c01888 Dual specificity protein kinase CLK2 2
38051674 10.1021/acs.jmedchem.3c01888 Transcription initiation factor TFIID subunit 1-like 2
38051674 10.1021/acs.jmedchem.3c01888 Tribbles homolog 2 2
38051674 10.1021/acs.jmedchem.3c01888 Myotonin-protein kinase 2
38051674 10.1021/acs.jmedchem.3c01888 Homeodomain-interacting protein kinase 2 2
38051674 10.1021/acs.jmedchem.3c01888 Cyclin-dependent kinase-like 1 1
38051674 10.1021/acs.jmedchem.3c01888 Cyclin-dependent kinase-like 2 1
38051674 10.1021/acs.jmedchem.3c01888 Cyclin-dependent kinase-like 5 1
38051674 10.1021/acs.jmedchem.3c01888 Dual specificity tyrosine-phosphorylation-regulated kinase 3 1
38051674 10.1021/acs.jmedchem.3c01888 Serine/threonine-protein kinase haspin 1

Data from ChEMBL 36 via Core Engine