General
Preferred name
Ansamitocin P-3
Synonyms
Maytansinol butyrate ()
C15003P3 ()
Ansamitocin P3 ()
Antibiotic C 15003P3 ()
Maytansinol isobutyrate ()
Ansamitocin p-3 (Maytansinol isobutyrate, NSC292222) ()
P&D ID
PD062531
CAS
66547-09-9
66584-72-3
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
AdooQ Bioactive Compound Library
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
634.27
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
1
cLogP
4.32
TPSA
136.16
Fraction CSP3
0.59
Chiral centers
7.0
Largest ring
19.0
QED
0.37
QED
0.37
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
apoptosis stimulant
Pathway
Antibody-drug Conjugate/ADC Related
Anti-infection
Cell Cycle/DNA Damage
cytoskeleton
Target
ADC Cytotoxin
antibiotic
Bacterial
Microtubule/Tubulin
ADC Cytotoxin,Microtubule Associated
Source data
