General
Preferred name
EXATECAN
Synonyms
DX8951f ()
DX-8951f ()
Exatecan (Mesylate) ()
DX-8951 ()
DX-8951 Mesylate ()
Exatecan mesylate ()
Exatecan mesilate hydrate ()
Exatecan mesilate dihydrate ()
DX-8951F ()
Exatecan methanesulfonate dihydrate ()
P&D ID
PD072518
CAS
171335-80-1
197720-53-9
169869-90-3
Tags
available
drug candidate
drug
Drug indication
Myelodysplastic syndrome
Solid tumour/cancer
Drug Status
approved
investigational
Max Phase
3.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION Exatecan (DX-8951) is a DNA topoisomerase I inhibitor, with an IC50 of 2.2 ¦ÌM (0.975 ¦Ìg/mL), and can be used in cancer research.
DESCRIPTION Exatecan (DX-8951f) is a DNA topoisomerase I (TOP1) inhibitor with an IC50 value of 2.2 ??M (0.975 ??g/mL).Exatecan has antitumor activity and may be used in cancer research.
DESCRIPTION Exatecan mesylate (DX8951f) is a DNA topoisomerase I inhibitor, with an IC50 of 2.2 ¦ÌM (0.975 ¦Ìg/mL). Exatecan mesylate can be used in cancer research.
PRICE 32
DESCRIPTION Exatecan Mesylate (DX8951f) is a DNA topoisomerase I inhibitor (IC50: 2.2 ??M, 0.975 ??g/mL).
DESCRIPTION Exatecan (DX-8951f) is a DNA topoisomerase I (TOP1) inhibitor with an IC50 value of 2.2 μM (0.975 μg/mL).Exatecan has antitumor activity and may be used in cancer research. (TargetMol Bioactive Compound Library)
DESCRIPTION Exatecan Mesylate (DX8951f) is a DNA topoisomerase I inhibitor (IC50: 2.2 μM, 0.975 μg/mL). (TargetMol Bioactive Compound Library)
Compound Sets
11
Cayman Chemical Bioactives
35452
ChEMBL Drugs
CHEMBL1614650
CHEMBL3989759
Drug Repurposing Hub
DrugBank
DB12185
DrugCentral
1120
DrugCentral Approved Drugs
1120
DrugMAP
DMCA7FN
MedChem Express Bioactive Compound Library
HY-13631
HY-13631A
ReFrame library
Selleckchem Bioactive Compound Library
exatecan-mesylate
TargetMol Bioactive Compound Library
T11249
TQ0088
External IDs
52
Properties
(calculated by RDKit )
Molecular Weight
435.16
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
6
Aromatic Ring Count
3
cLogP
2.47
TPSA
107.44
Fraction CSP3
0.38
Chiral centers
2.0
Largest ring
6.0
QED
0.45
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Topo I
Topoisomerase
Topoisomerase I
TOP1
ADC Payload
ADC Cytotoxin
MOA
Topoisomerase inhibitor
Pathway
Antibody-drug Conjugate/ADC Related
DNA Damage/DNA Repair
Cell Cycle/DNA Damage
Source data