BBP-19805 Yellow

Cc1cc(Nc2cc(C3CCN(Cc4ccc(F)cn4)CC3)n(C)n2)n[nH]1
0.523
Platform Score
2D Structure
BBP-19805
C19H24FN7 | Exact mass: 369.2077
Key Metrics
-6.4
Vina (kcal/mol)
#3040
Docking Rank
1
Hinge Binder
75
TPSA
369
MW
2
HBD
3.1
SlogP
Display Controls
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PLK4 Docking Result
-6.40
kcal/mol (molecular docking)
Docking Rank#3040 of 1,249
Consensus Score0.1113
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 InhibitorNon-inhibitor
HepatotoxicityNegative
CNS Drug-Likeness
Physicochemical Properties
Molecular Weight369.45 Da
TPSA74.7 A^2
HBD2
HBA6
SlogP3.11
Fsp30.421
Rotatable Bonds5
Rings4 (3 aromatic)
QED0.723
SA Score2.86 (1=easy, 10=hard)
CNS MPO2.94 / 4.0
FormulaC19H24FN7
Exact Mass369.2077
Classification
Scaffold (Murcko)C1CCC(CC2CCC(C3CCC(CC4CCCC4)C3)CC2)CC1
Source Versionsv14
Best Source Score0.6409
Best Source Rank#721
Hinge Binder Aminopyrazole DAD
InChIKeyCKAHBBSUPRUCTI-UHFFFAOYSA-N
Filter PassYes