General
Preferred name
Monomethyl auristatin E
Synonyms
D8-MMAE ()
D8-Monomethyl auristatin E ()
MMAE ()
Vedotin ()
D8-Vedotin ()
Monomethyl-auristatin-E ()
SGD-1010 ()
Monomethyl auristatin E (MMAE) ()
?Monomethyl Auristatin E ()
P&D ID
PD018391
CAS
474645-27-7
Tags
available
drug candidate
Drug indication
Cancer
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
23
Organisms
0
Compound Sets
7
AdooQ Bioactive Compound Library
A12954
Cayman Chemical Bioactives
16267
DrugMAP
DMG2UJS
MedChem Express Bioactive Compound Library
HY-15162
Other bioactive compounds
Selleckchem Bioactive Compound Library
monomethyl-auristatin-e-mmae
TargetMol Bioactive Compound Library
T6897
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
717.5
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
4
Rotatable Bonds
20
Ring Count
2
Aromatic Ring Count
1
cLogP
3.53
TPSA
149.54
Fraction CSP3
0.74
Chiral centers
10.0
Largest ring
6.0
QED
0.16
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Microtubule/Tubulin
ADC Cytotoxin
Microtubule
ADC Cytotoxin,Microtubule Associated
Pathway
Cell Cycle/DNA Damage
cytoskeleton
Antibody-drug Conjugate/ADC Related
Cytoskeletal Signaling
Apoptosis
Source data