General
Preferred name
tretinoin
Synonyms
ATRA ()
all-trans-Retinoic acid ()
Retinoic acid ()
NSC122758 ()
Vitamin A acid ()
Retinoic acid ()
Accutane ()
isotretinoin ()
Vesanoid ()
all trans-Retinoic acid ()
Retin-A ()
Tretinoin, all-trans- ()
all-trans-Vitamin A acid ()
trans-Retinoic acid302-79-4 ()
Tretinoin (NSC 122758) ()
Retinoic acid, All-trans Retinoic Acid, ATRA, Vitamin A acid, Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A,NSC 122758 ()
Renova ()
Retin-A Micro ()
Tretin-X ()
Acticin ()
Avita ()
Kerlocal ()
Altreno ()
Eudyna ()
NSC-122758 ()
Atralin ()
Retin-a-micro ()
Oristar rna ()
all-trans Retinoic Acid ()
Retin a ()
Aberel ()
all-trans Retinoic Acid-d5 ()
P&D ID
PD001430
CAS
302-79-4
187175-63-9
4759-48-2
124510-04-9
Tags
probe
natural product
drug
available
Approved by
FDA
First approval
1971
Drug Status
nutraceutical
investigational
approved
Drug indication
Keratolytic
Acute promyelocytic leukaemia
Acne vulgaris
Max Phase
Phase 4
Probe info
Probe type
calculated probe
Probe sources
Probe Miner (suitable probes)
Probe targets
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Tretinoin is a naturally occurring derivative of vitamin A (retinoic acid) and as such is an agonist at the retinoic acid receptors. Tretinoin binds to α, β, and γ isoforms of the retinoic acid receptor. Retionoids are important regulators of cell reproduction, proliferation, and differentiation. (GtoPdb)
DESCRIPTION Retinoic acid analog; RARalpha agonist (Tocris Bioactive Compound Library)
DESCRIPTION Induces caspase-dependent apoptosis (LOPAC library)
DESCRIPTION Endogenous retinoic acid receptor agonist. (Tocriscreen Total)
Cell lines
209
Organisms
3
Compound Sets
40
AdooQ Bioactive Compound Library
A10944
Axon Medchem Screening Library
3321
Bioprocess diversity set
Cayman Chemical Bioactives
11017
25415
ChEMBL Approved Drugs
CHEMBL38
ChEMBL Drugs
CHEMBL38
Concise Guide to Pharmacology 2017/18
2644
Concise Guide to Pharmacology 2019/20
2644
Concise Guide to Pharmacology 2021/22
2644
Concise Guide to Pharmacology 2023/24
2644
Drug Repurposing Hub
DrugBank
DB00755
DrugBank Approved Drugs
DB00755
DrugCentral
2722
DrugCentral Approved Drugs
2722
DrugMAP
DM49DUI
DrugMAP Approved Drugs
DM49DUI
EU-OPENSCREEN Bioactive Compound Library
EOS101511
Guide to Pharmacology
2644
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL38
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
CHEMBL38
Mcule NIBR MoA Box Subset
MCULE-9871118009
MedChem Express Bioactive Compound Library
HY-14649
Natural product-based probes and drugs
NIH Approved Oncology Drugs
416403
NIH Clinical Collections (NCC)
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
NURSA ligand set
nursa/index.jsf?doi=10.1621%2F3ZT36894UZ
Prestwick Chemical Library
Probe Miner (suitable probes)
P48443/1305739
ReFrame library
Selleckchem Bioactive Compound Library
Tretinoin(Aberela)
TargetMol Bioactive Compound Library
T1051
The Spectrum Collection
Tocris Bioactive Compound Library
0695
Tocriscreen Total
Welcome Trust Cancer Drugs
1009
ZINC Tool Compounds
ZINC000012358651
External IDs
89
Properties
(calculated by RDKit )
Molecular Weight
300.21
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
0
cLogP
5.6
TPSA
37.3
Fraction CSP3
0.45
Chiral centers
0.0
Largest ring
6.0
QED
0.53
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Target
Retinoic acid and retinoid X receptor agonist
RAR
ALDH1A1, ALDH1A2, GPRC5A, NR0B1, NR2C2, PPARD, RARA, RARB, RARG, RARRES1, RORB, RORC, RXRB, RXRG
RAR ligand
Endogenous Metabolite
PPAR
RAR/RXR
Retinoid Receptor
Biological process
Vesicle traffic
Pathway
Metabolism
Autophagy
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Vitamin D Related/Nuclear Receptor
Primary Target
Retinoic Acid Receptors
MOA
Agonist
Retinoid RORbeta Ligands
retinoid receptor agonist, retinoid receptor ligand
Member status
virtual
Indication
acute promyelocytic leukemia (APL)
Biosynthetic Origin
Terpenoid
Therapeutic Indication
Antiacne
Therapeutic Class
Keratolytic Agents
Source data