BBP-26511 Yellow

Cc1cc(Nc2nc(N(C)c3c(F)cc(C(=O)N4CCOCC4)cc3F)ccc2C2CC2)n[nH]1
0.429
Platform Score
2D Structure
BBP-26511
C24H26F2N6O2 | Exact mass: 468.2085
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
86
TPSA
469
MW
2
HBD
4.3
SlogP
Display Controls
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PLK4 Docking Result
N/A
kcal/mol (molecular docking)
Docking Rank#- of 1,249
Consensus Score-
ReceptorPLK4 (PDB: 4YUR)
Selective No
Selectivity Profile
ADMET Profile
BBB (BOILED-Egg) BBB- (non-penetrant)
ADMET Status Pass (no hard fails)
hERG Risk pIC50 0.7 (low risk)
AMES MutagenicityNegative
P-gp Substrate No
CYP3A4 InhibitorInhibitor
HepatotoxicityPositive
Flags: ["hepatotox_positive", "CYP3A4_inhibitor"]
CNS Drug-Likeness
Physicochemical Properties
Molecular Weight468.51 Da
TPSA86.4 A^2
HBD2
HBA6
SlogP4.25
Fsp30.375
Rotatable Bonds6
Rings5 (3 aromatic)
QED0.563
SA Score3.02 (1=easy, 10=hard)
CNS MPO1.52 / 4.0
FormulaC24H26F2N6O2
Exact Mass468.2085
Classification
Scaffold (Murcko)CC(C1CCCCC1)C1CCC(CC2CCC(C3CC3)C(CC3CCCC3)C2)CC1
Source Versionsv33
Best Source Score0.7254
Best Source Rank#688
Hinge Binder Aminopyrazole DAD
InChIKeyBDQVAEFSXBAEFC-UHFFFAOYSA-N
Filter PassYes