BBP-23099 Green

Cc1cc(Nc2cc(C3CC3)c(F)c(N3CC(C)(C)N(C)C3=O)c2F)n[nH]1
0.501
Platform Score
2D Structure
BBP-23099
C19H23F2N5O | Exact mass: 375.1871
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
64
TPSA
375
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+ (penetrant)
ADMET Status Pass (no hard fails)
hERG Risk pIC50 0.3 (low risk)
AMES MutagenicityNegative
P-gp Substrate No
CYP3A4 InhibitorInhibitor
HepatotoxicityPositive
Flags: ["hepatotox_positive", "CYP3A4_inhibitor"]
CNS Drug-Likeness
Physicochemical Properties
Molecular Weight375.42 Da
TPSA64.3 A^2
HBD2
HBA3
SlogP4.27
Fsp30.474
Rotatable Bonds4
Rings4 (2 aromatic)
QED0.839
SA Score3.35 (1=easy, 10=hard)
CNS MPO2.45 / 4.0
FormulaC19H23F2N5O
Exact Mass375.1871
Classification
Scaffold (Murcko)CC1CCCC1C1CC(CC2CCCC2)CC(C2CC2)C1
Source Versionsv18
Best Source Score0.6999
Best Source Rank#706
Hinge Binder Aminopyrazole DAD
InChIKeyBMPUDHVAQJHGAT-UHFFFAOYSA-N
Filter PassYes