General
Preferred name
ANATIBANT
Synonyms
XY2405 ()
LF16-0687 ()
XY-2405 ()
P&D ID
PD016178
CAS
209733-45-9
Tags
available
drug candidate
Drug indication
Traumatic brain injury
Drug Status
investigational
Max Phase
Phase 2
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
9
ChEMBL Drugs
CHEMBL2107725
Concise Guide to Pharmacology 2017/18
679
Concise Guide to Pharmacology 2019/20
679
Concise Guide to Pharmacology 2021/22
679
Concise Guide to Pharmacology 2023/24
679
DrugBank
DB05038
DrugMAP
DMG7IEN
Guide to Pharmacology
679
ReFrame library
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
710.18
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
4
Rotatable Bonds
12
Ring Count
5
Aromatic Ring Count
4
cLogP
5.11
TPSA
167.57
Fraction CSP3
0.29
Chiral centers
1.0
Largest ring
6.0
QED
0.09
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data