BBP-27435 Yellow

Cc1cc(Nc2nc(N(C)c3c(F)cc(F)cc3F)nc(N3C4CC4CN3C)c2C2CC2)n[nH]1
0.511
Platform Score
2D Structure
BBP-27435
C23H25F3N8 | Exact mass: 470.2154
Key Metrics
-7.5
Vina (kcal/mol)
#619
Docking Rank
1
Hinge Binder
76
TPSA
470
MW
2
HBD
4.4
SlogP
Display Controls
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PLK4 Docking Result
-7.46
kcal/mol (molecular docking)
Docking Rank#619 of 1,249
Consensus Score0.2849
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 Weight470.50 Da
TPSA76.2 A^2
HBD2
HBA7
SlogP4.37
Fsp30.435
Rotatable Bonds6
Rings6 (3 aromatic)
QED0.554
SA Score4.30 (1=easy, 10=hard)
CNS MPO1.57 / 4.0
FormulaC23H25F3N8
Exact Mass470.2154
Classification
Scaffold (Murcko)C1CCC(CC2CC(CC3CCCC3)C(C3CC3)C(C3CCC4CC43)C2)CC1
Source Versionsv34
Best Source Score0.7196
Best Source Rank#772
Hinge Binder Aminopyrazole DAD
InChIKeyUQFXKCRWLQMPKL-UHFFFAOYSA-N
Filter PassYes
Filter Notesrings=6,max_ring=6