General
Preferred name
LEPTOMYCIN B
Synonyms
CI 940 ()
LMB ()
LMB, CI 940, Elactocin, Mantuamycin, NSC 364372 ()
P&D ID
PD003479
CAS
87081-35-4
Tags
covalent binder
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 exportin 1 (Informer Set)
Cell lines
0
Organisms
1
Compound Sets
6
Cayman Chemical Bioactives
10004976
CovalentInDB
CI004844
CovBinderInPDB
CBR006054
CBR006048
CBR006040
CBR006037
CBR003230
CBR003223
CBR000208
Informer Set
660086
ReFrame library
Selleckchem Bioactive Compound Library
leptomycinb
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
540.35
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
15
Ring Count
1
Aromatic Ring Count
0
cLogP
6.78
TPSA
100.9
Fraction CSP3
0.55
Chiral centers
7.0
Largest ring
6.0
QED
0.13
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Target
XPO1
Fungal
CRM1
Compound status
probe
Pathway
Membrane Transporter/Ion Channel
Anti-infection
Source data