General
Preferred name
INDIGO
Synonyms
Indigotin ()
Nila whole ()
Indigo blue ()
Indigo whole ()
C.I.73000 ()
NSC-8645 ()
Nili whole ()
Nilika whole ()
Indigofera orthocarpa whole ()
Ao201 ()
Nilini whole ()
True indigo whole ()
Indigofera tinctoria ()
Ci 73000 ()
Indigofera tinctoria whole ()
P&D ID
PD087246
CAS
482-89-3
68651-46-7
11129-41-2
Tags
available
natural product
drug candidate
Drug Status
investigational
experimental
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()] ]]
[[ 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
27
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
