PUBCHEM ID 2763
UNII F8252JGO9S
Preferred Term CIPROFIBRATE
CAS 52214-84-3
INCHIKEY
Download mol2, pdbqt
mol2
Smiles CC(C)(C(O)=O)Oc1ccc([C@@H](C2)C2(Cl)Cl)cc1
Total Surface Area 196,3
Relative PSA 0,18411
TPSA 46,53
cLogS -3,733
MW 289,157
cLogP 3,4194
H-Acceptors 3
H-Donors 1
Ro5 violations 0
Druglikeness -1,8453
DrugScore 7,69892954209678E-02
Mutagenic high
Tumorigenic low
Reproductive Effective high
Irritant high
Blood-Brain Barrier BBB+
Human Intestinal Absorption HIA+
Caco-2 Permeability I Caco2+
Caco-2 Permeability II 1,1763
P-glycoprotein Substrate Non-substrate
P-glycoprotein Inhibitor I Non-inhibitor
P-glycoprotein Inhibitor II Non-inhibitor
Renal Organic Cation Transporter Non-inhibitor
Subcellular localization Mitochondria
CYP450 2C9 Substrate Non-substrate
CYP450 2D6 Substrate Non-substrate
CYP450 3A4 Substrate Substrate
CYP450 1A2 Inhibitor Non-inhibitor
CYP450 2C9 Inhibitor Non-inhibitor
CYP450 2D6 Inhibitor Non-inhibitor
CYP450 2C19 Inhibitor Non-inhibitor
CYP450 3A4 Inhibitor Non-inhibitor
CYP Inhibitory Promiscuity Low CYP Inhibitory Promiscuity
Human Ether-a-go-go-Related Gene Inhibition I Weak inhibitor
Human Ether-a-go-go-Related Gene Inhibition II Non-inhibitor
AMES Toxicity Non AMES toxic
Carcinogens Non-carcinogens
Fish Toxicity I High FHMT
Fish Toxicity II 0,1174
Tetrahymena Pyriformis Toxicity I High TPT
Tetrahymena Pyriformis Toxicity II 0,8193
Tetrahymena Pyriformis Toxicity High HBT
Biodegradation Not ready biodegradable
Acute Oral Toxicity III
Rat Acute Toxicity 2,7468
Carcinogenicity (Three-class) Danger
These data are only available for scientific research purposes.