General
Preferred name
BECATECARIN
Synonyms
BMY-27557 ()
NSC-655649 ()
XL119 ()
Becatecarina ()
BMS-181176 ()
Deae-rebeccamycin ()
Becatecarine ()
XL-119 ()
P&D ID
PD018566
CAS
119673-08-4
Tags
available
drug candidate
Drug indication
male breast carcinoma
Solid tumour/cancer
Drug Status
investigational
Max Phase
3.0
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Becatecarin is a synthetic diethylaminoethyl analogue of the indolocarbazole glycoside antineoplastic antibiotic rebeccamycin. Becatecarin intercalates into DNA and stabilizes the DNA-topoisomerase I complex, thereby interfering with the topoisomerase I-catalyzed DNA breakage-reunion reaction and initiating DNA cleavage and apoptosis.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
6
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
DrugBank
DrugMAP
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Molecular Weight
668.18
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
4
Rotatable Bonds
8
Ring Count
7
Aromatic Ring Count
5
cLogP
4.3
TPSA
140.49
Fraction CSP3
0.39
Chiral centers
5.0
Largest ring
6.0
QED
0.18
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Solubility
Soluble in Water (pH-dependent), DMSO
Source data
