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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL52606
CHEMBL52606
Compound Name COLFORSIN
ChEMBL Synonyms Colforsin | FORSKOLIN | HL 362 | BOFORSIN | L 75 1362B
Max Phase 0
Trade Names
Molecular Formula C22H34O7

Additional synonyms for CHEMBL52606 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]3( ...
Download SMILES
Standard InChI InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-1 ...
Download InChI
Standard InChI Key OHCQJHSOBUTRHG-KGGHGJDLSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL52606

Molecule Features

CHEMBL52606 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

Clinical Data

ClinicalTrials.gov COLFORSIN
The Cochrane Collaboration COLFORSIN

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 CHEMBL52606. 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
CHEMBL2535 Glucose transporter Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.999
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 0.999
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.998
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.983
CHEMBL3262 Lanosterol synthase Rattus norvegicus 0.972
CHEMBL1871 Androgen Receptor Homo sapiens 0.923
CHEMBL3401 Pregnane X receptor Homo sapiens 0.903
CHEMBL3429 Estrogen-related receptor alpha Homo sapiens 0.452
CHEMBL3357 Interleukin-1 receptor-associated kinase 1 Homo sapiens 0.235
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.229



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL2535 Glucose transporter Homo sapiens 0.993
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.990
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.988
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 0.984
CHEMBL3775 Dual specificity phosphatase Cdc25A Homo sapiens 0.980
CHEMBL3180 Carboxylesterase 2 Homo sapiens 0.966
CHEMBL3262 Lanosterol synthase Rattus norvegicus 0.964
CHEMBL5990 Breast cancer type 1 susceptibility protein Homo sapiens 0.900
CHEMBL1871 Androgen Receptor Homo sapiens 0.895
CHEMBL3318 Tyrosinase Agaricus bisporus 0.858
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.753
CHEMBL1806 DNA topoisomerase II alpha Homo sapiens 0.412
CHEMBL1741208 NACHT, LRR and PYD domains-containing protein 3 Homo sapiens 0.387
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 0.349
CHEMBL1795168 CDGSH iron-sulfur domain-containing protein 1 Homo sapiens 0.341
CHEMBL5983 Aldo-keto reductase family 1 member B10 Homo sapiens 0.277
CHEMBL2284 Glyceraldehyde-3-phosphate dehydrogenase liver Homo sapiens 0.235

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
410.5 410.2305 1.52 2 113.29 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11 - 2.41 2.41 0 29 0.47

Structural Alerts

There are 5 structural alerts for CHEMBL52606. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OHCQJHSOBUTRHG-KGGHGJDLSA-N
PubChem SID: 144204491 SID: 144212716 SID: 170466094 SID: 26752068 SID: 29215035 SID: 47193715 SID: 56320676
Wikipedia Forskolin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL52606



ACToR 66575-29-9 66428-89-5
Atlas colforsin forskolin
BindingDB 50010261
ChEBI 42471
ChemicalBook CB0167677
DrugBank DB02587
eMolecules 513222 29549118 30154577
EPA CompTox Dashboard DTXSID8040484
FDA SRS 1F7A44V6OU
Guide to Pharmacology 5190
IBM Patent System 628701AC6D5A55BFF7522C4186CEF9DF
KEGG Ligand C09076
LINCS LSM-2193
LipidMaps LMPR0104030004
Metabolights MTBLC42471
MolPort MolPort-002-493-717
Nikkaji J22.273I
NMRShiftDB 20177307
PDBe FOK
PharmGKB PA146096022
PubChem 47936
PubChem: Drugs of the Future 12013584
PubChem: Thomson Pharma 15080267 14855314
Selleck forskolin
SureChEMBL SCHEMBL4928
ZINC ZINC000003977779

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