CHOLESTEROL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 97C5T2UQ7J

Structure
InChI Key HVYWMOMLDIMFJA-DPAQBDIFSA-N
Smile CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H46O
Molecular Weight 386.66
AlogP 7.39
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 3
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group F Nuclear hormone receptor subfamily 1 group F member 3
20-418 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 100

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asperger Syndrome 1 D020817 ClinicalTrials
Autistic Disorder 1 D001321 ClinicalTrials
Head and Neck Neoplasms 1 D006258 ClinicalTrials
Smith-Lemli-Opitz Syndrome 1 D019082 ClinicalTrials
Porokeratosis 1 D017499 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 57-88-5
ChEBI 16113
ChEMBL CHEMBL112570
DrugBank DB04540
EPA CompTox DTXSID3022401
FDA SRS 97C5T2UQ7J
Human Metabolome Database HMDB0000067
Guide to Pharmacology 2718
KEGG C00187
PDB CLR
PubChem 5997
SureChEMBL SCHEMBL2156
ZINC ZINC000003875383
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