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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL802
CHEMBL802
Compound Name MINOXIDIL
ChEMBL Synonyms MINOXIDIL (FOR MEN) | LONOLOX | WOMEN'S ROGAINE | ROGAINE (FOR MEN) | LONITEN | THEROXIDIL | ROGAINE EXTRA STRENGTH (FOR MEN) | U-10,858 | MEN'S ROGAINE | REGAINE FOR MEN | MINOXIDIL | MINOXIDIL EXTRA STRENGTH (FOR MEN) | REGAINE FOR WOMEN | MINODYL
Max Phase 4 (Approved)
Trade Names LONOLOX | MINOXIDIL (FOR MEN) | ROGAINE (FOR MEN) | WOMEN'S ROGAINE | MINODYL | MINOXIDIL EXTRA STRENGTH (FOR MEN) | REGAINE FOR WOMEN | MEN'S ROGAINE | REGAINE FOR MEN | ROGAINE EXTRA STRENGTH (FOR MEN) | LONITEN | THEROXIDIL
Molecular Formula C9H15N5O

Additional synonyms for CHEMBL802 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1cc(nc(N)[n+]1[O-])N2CCCCC2
Standard InChI InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/ ...
Download InChI
Standard InChI Key ZFMITUMMTDLWHR-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL802

Molecule Features

CHEMBL802 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:Y Oral:Y Parenteral:N Topical:Y Black Box:Y Availability Type:Over-The-Counter

Mechanism of Action

Mechanism of Action ChEMBL Target References
Sulfonylurea receptor 2, Kir6.2 opener Sulfonylurea receptor 2, Kir6.2 PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
AlopeciaD000505EFO:0004191androgenetic alopecia3ClinicalTrials
AlopeciaD000505Orphanet:79364Alopecia3ClinicalTrials
HypertensionD006973EFO:0000537hypertension4ATC

Clinical Data

ClinicalTrials.gov MINOXIDIL
The Cochrane Collaboration MINOXIDIL

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 CHEMBL802. 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
CHEMBL4900 Serine/threonine-protein kinase D2 Homo sapiens 0.691

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3176 Galanin receptor 2 Homo sapiens 0.975
CHEMBL4900 Serine/threonine-protein kinase D2 Homo sapiens 0.758

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
209.3 209.1277 -0.13 1 95.11 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.54 1.62 1.61 1 15 0.5

Structural Alerts

There are 3 structural alerts for CHEMBL802. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D11 - OTHER DERMATOLOGICAL PREPARATIONS
D11A - OTHER DERMATOLOGICAL PREPARATIONS
D11AX - Other dermatologicals
D11AX01 - minoxidil

C - CARDIOVASCULAR SYSTEM
C02 - ANTIHYPERTENSIVES
C02D - ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
C02DC - Pyrimidine derivatives
C02DC01 - minoxidil

ChemSpider ChemSpider:ZFMITUMMTDLWHR-UHFFFAOYSA-N
DailyMed minoxidil
PubChem SID: 104171187 SID: 11111457 SID: 11111458 SID: 11113580 SID: 144203744 SID: 170464704 SID: 26751784 SID: 26751785 SID: 46500395 SID: 50104471 SID: 85231134 SID: 90340717
Wikipedia Minoxidil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL802



ACToR 38304-91-5
Brenda 90818
ChEBI 6942
ChemicalBook CB7383531
DrugBank DB00350
DrugCentral 1814
eMolecules 1934628 27522492
EPA CompTox Dashboard DTXSID9040685
FDA SRS 5965120SH1
Guide to Pharmacology 4254
Human Metabolome Database HMDB0014494
IBM Patent System 54ECC4FC3CF7B594156C3133BCF7987F
LINCS LSM-2134
MolPort MolPort-003-666-236
PDBe MXD
PubChem: Thomson Pharma 15121148
Selleck Minoxidil
SureChEMBL SCHEMBL29698
ZINC ZINC000000001735

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