BBP-25268 Yellow

Cc1cc(Nc2cc(C3CCC3)nc(N(C)c3c(F)cc(N4CCN(C)CC4)cc3F)n2)n[nH]1
0.556
Platform Score
2D Structure
BBP-25268
C24H30F2N8 | Exact mass: 468.2561
Key Metrics
-7.2
Vina (kcal/mol)
#1203
Docking Rank
1
Hinge Binder
76
TPSA
469
MW
2
HBD
4.3
SlogP
Display Controls
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PLK4 Docking Result
-7.24
kcal/mol (molecular docking)
Docking Rank#1203 of 1,249
Consensus Score0.2482
ReceptorPLK4 (PDB: 4YUR)
Selective No
Selectivity Profile
ADMET Profile
BBB (BOILED-Egg) BBB+ (penetrant)
ADMET Status Pass (no hard fails)
hERG Risk pIC50 0.9 (low risk)
AMES MutagenicityNegative
P-gp Substrate No
CYP3A4 InhibitorInhibitor
HepatotoxicityPositive
Flags: ["hepatotox_positive", "P-gp_substrate", "CYP3A4_inhibitor"]
CNS Drug-Likeness
Physicochemical Properties
Molecular Weight468.56 Da
TPSA76.2 A^2
HBD2
HBA7
SlogP4.32
Fsp30.458
Rotatable Bonds6
Rings5 (3 aromatic)
QED0.558
SA Score3.08 (1=easy, 10=hard)
CNS MPO1.61 / 4.0
FormulaC24H30F2N8
Exact Mass468.2561
Classification
Scaffold (Murcko)C1CCC(C2CCC(CC3CC(CC4CCCC4)CC(C4CCC4)C3)CC2)CC1
Source Versionsv32
Best Source Score0.7617
Best Source Rank#267
Hinge Binder Aminopyrazole DAD
InChIKeyOWBHMIXWWNWMLJ-UHFFFAOYSA-N
Filter PassYes