BBP-19184 Yellow

Cc1cc(Nc2cc(C3CCN(Cc4ncc(F)cc4F)CC3)n(C)n2)n[nH]1
0.532
Platform Score
2D Structure
BBP-19184
C19H23F2N7 | Exact mass: 387.1983
Key Metrics
-6.5
Vina (kcal/mol)
#3000
Docking Rank
1
Hinge Binder
75
TPSA
387
MW
2
HBD
3.2
SlogP
Display Controls
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PLK4 Docking Result
-6.46
kcal/mol (molecular docking)
Docking Rank#3000 of 1,249
Consensus Score0.1206
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 Weight387.44 Da
TPSA74.7 A^2
HBD2
HBA6
SlogP3.25
Fsp30.421
Rotatable Bonds5
Rings4 (3 aromatic)
QED0.703
SA Score3.00 (1=easy, 10=hard)
CNS MPO2.75 / 4.0
FormulaC19H23F2N7
Exact Mass387.1983
Classification
Scaffold (Murcko)C1CCC(CC2CCC(C3CCC(CC4CCCC4)C3)CC2)CC1
Source Versionsv14,v15,v16
Best Source Score0.7157
Best Source Rank#48
Hinge Binder Aminopyrazole DAD
InChIKeyAJSURFKPLHMAHA-UHFFFAOYSA-N
Filter PassYes