ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14762
CHEMBL14762
Compound Name SELICICLIB
ChEMBL Synonyms CYC-202 | SELICICLIB | AL-39256
Max Phase 2
Trade Names
Molecular Formula C19H26N6O

Additional synonyms for CHEMBL14762 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1
Standard InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5- ...
Download InChI
Standard InChI Key BTIHMVBBUGXLCJ-OAHLLOKOSA-N

Sources

  • AstraZeneca Deposited Data
  • Clinical Candidates
  • PubChem BioAssays
  • Sanger Institute Genomics of Drug Sensitivity in Cancer
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL14762

Molecule Features

CHEMBL14762 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
Cyclin-dependent kinase 1 inhibitor Cyclin-dependent kinase 1 PubMed PubMed PubMed
Cyclin-dependent kinase 2 inhibitor Cyclin-dependent kinase 2 PubMed PubMed PubMed
Cyclin-dependent kinase 5 inhibitor Cyclin-dependent kinase 5 PubMed PubMed PubMed
Cyclin-dependent kinase 7 inhibitor Cyclin-dependent kinase 7 PubMed PubMed PubMed
Cyclin-dependent kinase 9 inhibitor Cyclin-dependent kinase 9 PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
CARCINOMA, NON-SMALL-CELL LUNGD002289EFO:0003060NON-SMALL CELL LUNG CARCINOMA2ClinicalTrials
CYSTIC FIBROSISD003550Orphanet:586CYSTIC FIBROSIS2ClinicalTrials

Clinical Data

ClinicalTrials.gov SELICICLIB
The Cochrane Collaboration SELICICLIB

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL14762. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL308 Cyclin-dependent kinase 1 Homo sapiens 1.000
CHEMBL4036 Cyclin-dependent kinase 5 Homo sapiens 1.000
CHEMBL2292 Dual-specificity tyrosine-phosphorylation regulated kinase 1A Homo sapiens 1.000
CHEMBL2793 Casein kinase I alpha Homo sapiens 1.000
CHEMBL256 Adenosine A3 receptor Homo sapiens 1.000
CHEMBL226 Adenosine A1 receptor Homo sapiens 1.000
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 1.000
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL3055 Cyclin-dependent kinase 7 Homo sapiens 1.000
CHEMBL4188 Rhodesain Trypanosoma brucei rhodesiense 0.962
CHEMBL4225 Dual specificity protein kinase CLK2 Homo sapiens 0.821
CHEMBL301 Cyclin-dependent kinase 2 Homo sapiens 0.685
CHEMBL5401 Signal transducer and activator of transcription 6 Homo sapiens 0.493



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2292 Dual-specificity tyrosine-phosphorylation regulated kinase 1A Homo sapiens 1.000
CHEMBL308 Cyclin-dependent kinase 1 Homo sapiens 1.000
CHEMBL4036 Cyclin-dependent kinase 5 Homo sapiens 1.000
CHEMBL256 Adenosine A3 receptor Homo sapiens 1.000
CHEMBL2793 Casein kinase I alpha Homo sapiens 1.000
CHEMBL226 Adenosine A1 receptor Homo sapiens 1.000
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL5401 Signal transducer and activator of transcription 6 Homo sapiens 1.000
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 1.000
CHEMBL3055 Cyclin-dependent kinase 7 Homo sapiens 1.000
CHEMBL4188 Rhodesain Trypanosoma brucei rhodesiense 0.999
CHEMBL251 Adenosine A2a receptor Homo sapiens 0.988
CHEMBL2426 Casein kinase I gamma 1 Homo sapiens 0.919
CHEMBL301 Cyclin-dependent kinase 2 Homo sapiens 0.501
CHEMBL1075269 Adenosine A3 receptor Mus musculus 0.401
CHEMBL3837 Cathepsin L Homo sapiens 0.374
CHEMBL4225 Dual specificity protein kinase CLK2 Homo sapiens 0.355
CHEMBL255 Adenosine A2b receptor Homo sapiens 0.319
CHEMBL4203 Dual specificity protein kinase CLK4 Homo sapiens 0.229

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
354.5 354.2168 3.32 8 87.89 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.77 1.53 1.52 3 26 0.58

Structural Alerts

There are no structural alerts for CHEMBL14762

Compound Cross References

ChemSpider ChemSpider:BTIHMVBBUGXLCJ-OAHLLOKOSA-N
PubChem SID: 124891685 SID: 26753649 SID: 26753650 SID: 50100113 SID: 50107006 SID: 527377
Wikipedia Seliciclib

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14762



ACToR 186692-46-6
BindingDB 7533
ChEBI 45307
eMolecules 594108
EPA CompTox Dashboard DTXSID20171928
FDA SRS 0ES1C2KQ94
Guide to Pharmacology 6035
IBM Patent System CFBB8636474513996AAC44A899AC3B84
LINCS LSM-1001
MolPort MolPort-003-959-463
Nikkaji J823.057I
PDBe RRC
PubChem 160355
PubChem: Drugs of the Future 12015583
PubChem: Thomson Pharma 14778719 14876445
Selleck Roscovitine
SureChEMBL SCHEMBL94728
ZINC ZINC000001649340

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/BTIHMVBBUGXLCJ-OAHLLOKOSA-N spacer
spacer