BBP-20770 Yellow

Cc1cc(Nc2nn(C)c(C3CCN(Cc4nccn4C)CC3)c2C)n[nH]1
0.441
Platform Score
2D Structure
BBP-20770
C19H28N8 | Exact mass: 368.2437
Key Metrics
-5.7
Vina (kcal/mol)
#3162
Docking Rank
1
Hinge Binder
80
TPSA
368
MW
2
HBD
2.6
SlogP
Display Controls
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PLK4 Docking Result
-5.72
kcal/mol (molecular docking)
Docking Rank#3162 of 1,249
Consensus Score0.0002
ReceptorPLK4 (PDB: 4YUR)
Selective No
Selectivity Profile
ADMET Profile
BBB (BOILED-Egg) BBB- (non-penetrant)
ADMET Status Pass (no hard fails)
hERG Risk pIC50 0.8 (low risk)
AMES MutagenicityNegative
P-gp Substrate No
CYP3A4 InhibitorNon-inhibitor
HepatotoxicityNegative
CNS Drug-Likeness
Physicochemical Properties
Molecular Weight368.49 Da
TPSA79.6 A^2
HBD2
HBA7
SlogP2.62
Fsp30.526
Rotatable Bonds5
Rings4 (3 aromatic)
QED0.724
SA Score3.01 (1=easy, 10=hard)
CNS MPO2.94 / 4.0
FormulaC19H28N8
Exact Mass368.2437
Classification
Scaffold (Murcko)C1CCC(CC2CCC(C3CCC(CC4CCCC4)C3)CC2)C1
Source Versionsv15
Best Source Score0.5987
Best Source Rank#879
Hinge Binder Aminopyrazole DAD
InChIKeySHHWOWVSTBEYIU-UHFFFAOYSA-N
Filter PassYes