General
Preferred name
INDIGO
Synonyms
Indigotin ()
Ci 73000 ()
Nila whole ()
C.I.73000 ()
NSC-8645 ()
Indigo whole ()
Indigofera tinctoria whole ()
Indigofera orthocarpa whole ()
Indigofera tinctoria ()
Nilika whole ()
Indigo blue ()
Nilini whole ()
Nili whole ()
Ao201 ()
True indigo whole ()
P&D ID
PD087246
CAS
482-89-3
68651-46-7
11129-41-2
Tags
available
drug candidate
natural product
Drug Status
experimental
investigational
Max Phase
Phase 3
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
4
ChEMBL Drugs
DrugBank
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
262.07
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
2
cLogP
2.81
TPSA
58.2
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.72
Structural alerts
3
ene_five_het_E(44)
[#7]-[#6]=!@[#6]-2-[#6](=[#8])-c:1:c:c:c:c:c:1-[!#6&!#1]-2
PAINS Family B
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Target
Dyes
Source data
