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PALMITIC ACID

Compound

Name and Classification

ID: CHEMBL82293

Name: PALMITIC ACID

Max Phase:

Unknown Learn more

Molecular Formula: C16H32O2

Molecular Weight: 256.43

Molecule Type: Small molecule

Synonyms and Trade Names:

CETYL ACID CETYLIC ACID FEMA NO. 2832 IMEX C 1498 KORTACID 1698

Representations

Molfile:

Canonical SMILES:

Standard InChI:

Standard InChI Key:

Sources

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Scientific Literature PubChem BioAssays SARS-CoV-2 Screening Data TP-search Transporter Database United States Adopted Names (USAN) SureChEMBL Patent Bioactivity Data IMI-CARE SARS-CoV-2 Data

Alternative Forms

Alternative forms of compound CHEMBL82293

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Parent:

CHEMBL82293

PALMITIC ACID

Similar Compounds

Compounds similar to CHEMBL82293

Compounds with at least 85% similarity.

Browse All REST Service Call

CHEMBL464787

HEXACOSANOIC ACID
Similarity: 100.00

CHEMBL108766

DODECANOATE
Similarity: 100.00

CHEMBL324846

OCTANOIC ACID
Similarity: 100.00

CHEMBL108436

NONANOATE
Similarity: 100.00

1 - 4 out of 30

Activity Charts

Bioactivity Summary

Explore all related Activities

Total

283

Activity

ID/g

IC50

MIC

mortality

Inhibition

Potency

EC50

Ratio

AC50

Ac50

FICI

Compound recovery

Log Kd

MTD

Assay Summary

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Total

241

F - Functional

B - Binding

A - ADME

Target Summary

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Total

N/A

Enzyme

Transcription factor

Auxiliary transport protein

Membrane receptor

Secreted protein

Unclassified protein

Ion channel

Transporter

Literature

Histogram Settings

Interval Size (1)

Total

Journal:

J Med Chem

J Nat Prod

Eur J Med Chem

Bioorg Med Chem Lett

J Agric Food Chem

N/A

Bioorg Med Chem

Antimicrob Agents Chemother

Br J Pharmacol

Drug Metab Dispos

Med Chem Res

ACS Med Chem Lett

Items with no Year (1)

The table below displays ChEMBL targets which are predicted to interact with PALMITIC ACID (CHEMBL82293). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not PALMITIC ACID (CHEMBL82293) is predicted to interact or not with the target. The value returned can also be 'empty' if the model was not able to predict the compound or 'both' if it could not conclude. The predictions are given at three different confidence levels. More information on the methodology is available at: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0325-4

Target	Target Pref. Name	Confidence 70%	Confidence 80%	Confidence 90%	Activity Threshold
CHEMBL2902	Dihydrofolate reductase	inactive	inactive	inactive	6
CHEMBL2725	Beta-lactamase	empty	both	both	6
CHEMBL5062	Coagulation factor X	empty	empty	empty	6.5
CHEMBL1947	Thyroid hormone receptor beta-1	empty	inactive	inactive	7
CHEMBL2157850	Ubiquitin carboxyl-terminal hydrolase 7	inactive	inactive	inactive	6

Calculated Properties

Molecular Weight:

256.43

Molecular Weight (Monoisotopic):

256.2402

AlogP:

5.55

#Rotatable Bonds:

Polar Surface Area:

37.30

Molecular Species:

ACID

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

4.95

CX Basic pKa:

CX LogP:

6.26

CX LogD:

3.84

Aromatic Rings:

Heavy Atoms:

QED Weighted:

0.41

Np Likeness Score:

0.39

Structural Alerts

Alert Set	Priority	Alerts
Glaxo	8	Alert ID: 79139933 Alert Name: I1 Aliphatic methylene chains 7 or more long 1 1 out of 1
BMS	7	Alert ID: 81065178 Alert Name: gte_10_carbon_sb_chain 1 Alert ID: 81122597 Alert Name: gte_8_CF2_or_CH2 2 1 - 2 out of 2
Dundee	4	Alert ID: 79337025 Alert Name: Aliphatic long chain 1 1 out of 1
MLSMR	3	Alert ID: 82072763 Alert Name: long chain hydrocarbon 1 Alert ID: 82155218 Alert Name: Long aliphatic chain 2 Alert ID: 82579783 Alert Name: Unbranched chain 3 1 - 3 out of 3