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Table 1 ADMET and drug-likeness properties of BTL-I through the online prediction tool ADMETlab 2.0 (the table is located below line 394)

From: Marine fungal metabolite butyrolactone I prevents cognitive deficits by relieving inflammation and intestinal microbiota imbalance on aluminum trichloride-injured zebrafish

Property Value Decision
Absorption
 Caco-2 permeability − 4.9 log cm/s Excellent
 Madin–Darby canine kidney cells (MDCK) permeability 2e-05 cm/s Excellent
 P-glycoprotein (Pgp)-inhibitor 0.023 Excellent
 P-glycoprotein (Pgp)-substrate 0.007 Excellent
 Human intestinal absorption (HIA) 0.008 Excellent
 20% bioavailability (F20%) 0.059 Excellent
Distribution
 Plasma protein binding (PPB) 0.987 Bad
 Volume distribution (VD) 0.501 L/kg Excellent
 Blood–brain barrier (BBB) penetration 0.027 Excellent
 The fraction unbound in plasma (Fu) 0.012 Bad
Metabolism
 CYP1A2-inhibitor 0.381
 CYP1A2-substrate 0.536
 CYP2C19-inhibitor 0.955
 CYP2C19-substrate 0.189
 CYP2C9-inhibitor 0.934
 CYP2C9-substrate 0.946
 CYP2D6-inhibitor 0.873
 CYP2D6-substrate 0.788
 CYP3A4-inhibitor 0.916
 CYP3A4-substrate 0.333
Excretion
 Clearance 17.179 mL/min/kg Excellent
 The half-life (T1/2) 0.371
Toxicity
 hERG blockers 0.023 Excellent
 Human hepatotoxicity (H-HT) 0.402 Medium
 Drug-induced liver injury (DILI) 0.764 Bad
 Ames toxicity 0.106 Excellent
 Rat oral acute toxicity 0.559 Medium
 Maximum recommended daily dose (FDAMDD) 0.283 Excellent
 Skin sensitization 0.105 Excellent
 Carcinogenicity 0.162 Excellent
 Eye corrosion 0.003 Excellent
 Eye irritation 0.146 Excellent
 Respiratory toxicity 0.039 Excellent
Drug-likeness
 MCE-18 [56] 68.839 Excellent
 Lipinski rule [53] Accepted (0 violation) Excellent
 Pfizer rule [54] Accepted (0 violation) Excellent
 Golden triangle [55] Accepted (0 violation) Excellent
 GSK rule [57] Rejected (1 violation) Bad