General
Preferred name
tretinoin
Synonyms
isotretinoin ()
9-CIS-TRETINOIN ()
Panretin ()
alitretinoin ()
P&D ID
PD003380
Tags
natural product
available
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 agonist of retinoid acid receptors (Informer Set)
Compound Sets
3
DrugMatrix
Informer Set
23151
Natural product-based probes and drugs
External IDs
16
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
RARA
RARB
RARG
Compound status
FDA
Biosynthetic Origin
Terpenoid
Therapeutic Indication
Anticancer
Source data