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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 HL 362 | BOFORSIN | FORSKOLIN | L 75 1362B | Colforsin
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
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.999
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.997
CHEMBL1871 Androgen Receptor Homo sapiens 0.994
CHEMBL3401 Pregnane X receptor Homo sapiens 0.886
CHEMBL2949 Cyclooxygenase-1 Ovis aries 0.885
CHEMBL3815 Squalene synthetase Rattus norvegicus 0.824
CHEMBL3429 Estrogen-related receptor alpha Homo sapiens 0.809
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.631
CHEMBL3041 Mu opioid receptor Bos taurus 0.431
CHEMBL1741176 X-box-binding protein 1 Homo sapiens 0.430
CHEMBL5776 Mitogen-activated protein kinase kinase kinase 7 Homo sapiens 0.427
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.342
CHEMBL5983 Aldo-keto reductase family 1 member B10 Homo sapiens 0.318
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.223



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
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.998
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 0.998
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.998
CHEMBL1871 Androgen Receptor Homo sapiens 0.977
CHEMBL3262 Lanosterol synthase Rattus norvegicus 0.973
CHEMBL5990 Breast cancer type 1 susceptibility protein Homo sapiens 0.970
CHEMBL3775 Dual specificity phosphatase Cdc25A Homo sapiens 0.938
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 0.927
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.924
CHEMBL2535 Glucose transporter Homo sapiens 0.898
CHEMBL1806 DNA topoisomerase II alpha Homo sapiens 0.781
CHEMBL3815 Squalene synthetase Rattus norvegicus 0.750
CHEMBL5983 Aldo-keto reductase family 1 member B10 Homo sapiens 0.695
CHEMBL3318 Tyrosinase Agaricus bisporus 0.551
CHEMBL5135 Voltage-gated potassium channel subunit Kv7.1 Cavia porcellus 0.487
CHEMBL4218 Alpha trans-inducing protein (VP16) Herpes simplex virus (type 1 / strain 17) 0.462

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
410.5 410.2305 0.84 3 113.29 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
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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