BBP-26129 Green

Cc1cc(F)c(N(C)c2nc(C)nc(N(C)c3cc(C4CC4)[nH]n3)n2)c(F)c1
0.485
Platform Score
2D Structure
BBP-26129
C19H21F2N7 | Exact mass: 385.1827
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
74
TPSA
385
MW
1
HBD
3.9
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+ (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 Weight385.42 Da
TPSA73.8 A^2
HBD1
HBA6
SlogP3.90
Fsp30.368
Rotatable Bonds5
Rings4 (3 aromatic)
QED0.718
SA Score3.28 (1=easy, 10=hard)
CNS MPO2.78 / 4.0
FormulaC19H21F2N7
Exact Mass385.1827
Classification
Scaffold (Murcko)C1CCC(CC2CCCC(CC3CCC(C4CC4)C3)C2)CC1
Source Versionsv33
Best Source Score0.7643
Best Source Rank#253
Hinge Binder Aminopyrazole DAD
InChIKeyHMQDYAHTNMYYOL-UHFFFAOYSA-N
Filter PassYes