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Compound Detail

CHEMBL1683

HYDROCORTISONE BUTYRATE
💊 Approved Drug
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💊 Approved Drug
CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1683
Name HYDROCORTISONE BUTYRATE
Phase Approved
Structure Type MOL
InChI Key BMCQMVFGOVHVNG-TUFAYURCSA-N
Therapeutic ✓ Yes

Known Names

Cortisol 17-butyrate Hydrocortisone 17-butyrate Hydrocortisone butyrate Hydrocortisone-17-butyrate Locoid Locoid c Locoid crelo Locoid lipocream NSC-758433
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
9
Known Names
4
Indications
1
Mechanisms

Molecular Properties

432.6
MW (Da)
3.13
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1982
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Topical

Flags

Natural Product
USAN Stem -cort-
USAN Year 1980

Extended Properties

Molecular Formula C25H36O6
MW 432.56
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 2.14

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Glucocorticoid receptor agonist AGONIST Glucocorticoid receptor ✓ ✓

Indications

Dermatitis, Atopic Dermatitis, Seborrheic Skin Diseases Psoriasis

ATC Classification

D07AB02
hydrocortisone butyrate
Level 1: DERMATOLOGICALS
Level 2: CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS

Activity Summary

EC50 2 meas. best 8.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 8.71 8.71 2.0 1
Mineralocorticoid receptor
CHEMBL1994
 EC50 8.53 8.53 2.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 1.97 nM 8.71 Glucocorticoid Receptor Transactivation Potencies for Cortisol and 17-ester Deri... -
Mineralocorticoid receptor EC50 = 2.94 nM 8.53 Mineralocorticoid Receptor Transactivation Potencies for Cortisol and 17-ester D... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
37468498 10.1038/s41467-023-40064-9 Voltage-gated inwardly rectifying potassium channel KCNH2 1
37468498 10.1038/s41467-023-40064-9 Voltage-dependent L-type calcium channel subunit alpha-1C 1
37468498 10.1038/s41467-023-40064-9 Glutamate receptor ionotropic, NMDA 1 1
37468498 10.1038/s41467-023-40064-9 Beta-1 adrenergic receptor 1
19056282 10.1016/j.bmc.2008.11.040 ADMET 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent dopamine transporter 1
37468498 10.1038/s41467-023-40064-9 Neuronal acetylcholine receptor subunit alpha-4 1
3783574 10.1021/jm00161a001 Homo sapiens 1
7097729 10.1021/jm00348a027 Glucocorticoid receptor 1

Data from ChEMBL 36 via Core Engine