General
Preferred name
Taxol
Synonyms
PACLITAXEL ()
NSC 125973 ()
Paclitaxel (NSC 125973) ()
PTX, Taxol, Onxal, Abraxane,NSC 125973 ()
P&D ID
PD000814
CAS
33069-62-4
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 inhibitor of microtubule assembly (Informer Set)
DESCRIPTION Antitumor agent; promotes assembly of microtubules and inhibits tubulin disassembly process (LOPAC library)
DESCRIPTION Promotes assembly and inhibits disassembly of microtubules (Tocriscreen Plus)
DESCRIPTION Cell-permeable cAMP analog (Tocris Bioactive Compound Library)
DESCRIPTION Promotes assembly and inhibits disassembly of microtubules (Tocriscreen Total)
Compound Sets
9
CZ-OPENSCREEN Bioactive Library
Informer Set
26956
LINCS compound set
10102-999
10102-101
LOPAC library
Selleckchem Bioactive Compound Library
Paclitaxel(Taxol)
The Spectrum Collection
Tocris Bioactive Compound Library
1097
Tocriscreen Plus
1097
Tocriscreen Total
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
853.33
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
4
Rotatable Bonds
10
Ring Count
7
Aromatic Ring Count
3
cLogP
3.74
TPSA
221.29
Fraction CSP3
0.45
Chiral centers
11.0
Largest ring
8.0
QED
0.13
Structural alerts
1
Tubulin modulation
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Compound status
FDA
Target Type
Cell Biology
Selectivity
Tubulin
Primary Target
Microtubules
MOA
Microtubule
Target
ADC Cytotoxin,Antineoplastic and Immunosuppressive Antibiotics,Autophagy,Microtubule Associated
Source data