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Compound Detail

CHEMBL626

NAFTIFINE
💊 Approved Drug
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💊 Approved Drug
CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL626
Name NAFTIFINE
Phase Approved
Structure Type MOL
InChI Key OZGNYLLQHRPOBR-DHZHZOJOSA-N
Therapeutic ✓ Yes

Known Names

AW-105-843 Naft-500 Naftifina Naftifine
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
4
Known Names
2
Indications

Molecular Properties

287.4
MW (Da)
4.99
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1988
Availability Prescription
Chirality Achiral

Routes of Administration

Topical

Flags

Natural Product
USAN Year 1981

Extended Properties

Molecular Formula C21H21N
MW 287.41
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.56

Indications

Tinea Pedis Onychomycosis

ATC Classification

D01AE22
naftifine
Level 1: DERMATOLOGICALS
Level 2: ANTIFUNGALS FOR DERMATOLOGICAL USE

Activity Summary

IC50 3 meas. best 6.55
Ki 3 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.55 6.44 284.0 2
C-8 sterol isomerase ERG2
CHEMBL3224
 Ki 6.51 6.51 310.0 1
Squalene epoxidase ERG1
CHEMBL1897
 IC50 6.5 6.5 317.0 1
Sigma non-opioid intracellular receptor 1
CHEMBL287
 Ki 6.06 6.06 880.0 1
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase
CHEMBL4931
 Ki 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 284.0 nM 6.55 Inhibition of Candida albicans ATCC SC5314 SE incubated for 30 mins by spectroph... 33183866
C-8 sterol isomerase ERG2 Ki = 310.0 nM 6.51 Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pe... 16033255
Squalene epoxidase ERG1 IC50 = 317.0 nM 6.5 Inhibition of SE in Candida albicans ATCC SC5314 incubated for 30 mins using squ... 34731761
Unchecked IC50 = 469.0 nM 6.33 Inhibition of SE in Candida albicans ATCC SC5314 measured after 30 mins by HPLC ... 34772530
Sigma non-opioid intracellular receptor 1 Ki = 880.0 nM 6.06 Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H... 16033255
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase Ki = 1500.0 nM 5.82 Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerev... 16033255

Literature References

PubMed DOI Target Context # Activities
34731761 10.1016/j.ejmech.2021.113950 Candida albicans 21
16472241 10.2174/1570163043334794 Hepatotoxicity 18
33183866 10.1016/j.ejmech.2020.112991 Unchecked 16
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
32550995 10.1021/acsmedchemlett.0c00017 Squalene epoxidase ERG1 11
34772530 10.1016/j.ejmech.2021.113972 Candida albicans 10
33183866 10.1016/j.ejmech.2020.112991 Candida albicans 9
32791399 10.1016/j.ejmech.2020.112645 Candida albicans 7
34772530 10.1016/j.ejmech.2021.113972 Unchecked 6
32550995 10.1021/acsmedchemlett.0c00017 Candida albicans 6
32791399 10.1016/j.ejmech.2020.112645 Unchecked 5
3510297 10.1021/jm00151a019 Cavia porcellus 3
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 3
6502589 10.1021/jm00378a003 Cavia porcellus 3
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2

Data from ChEMBL 36 via Core Engine