Natural Product (NP) Details
| General Information of the NP (ID: NP8440) | |||||
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| Name |
Cryptolepine
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| Synonyms |
Cryptolepine; 480-26-2; CCRIS 9019; 5H-Quindoline, 5-methyl-; 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE; 5-methylindolo[3,2-b]quinoline; Cryptolepine hydrate; OF1UIT4RDH; UNII-OF1UIT4RDH; CHEBI:3930; NSC647765; 5-Methylquindoline; C09142; SCHEMBL542771; CHEMBL119096; 5-Methyl-5H-quindoline hydrate; DTXSID6037645; ZINC898100; BDBM50412201; MFCD17215953; Q5190964
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| Species Origin | Cryptolepis sinensis ... | Click to Show/Hide | |||
| Cryptolepis sinensis | |||||
| Disease | Malaria [ICD-11: 1F40] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-4.46
MDCK Permeability
-4.572
PAMPA
- -
HIA
- - -
Distribution
VDss
0.073
PPB
98%
BBB
+++
Metabolism
CYP1A2 inhibitor
+++
CYP1A2 substrate
+++
CYP2C19 inhibitor
+++
CYP2C19 substrate
++
CYP2C9 inhibitor
- - -
CYP2C9 substrate
+++
CYP2D6 inhibitor
- -
CYP2D6 substrate
+++
CYP3A4 inhibitor
+++
CYP3A4 substrate
++
CYP2B6 inhibitor
-
CYP2B6 substrate
- -
CYP2C8 inhibitor
+++
HLM Stability
++
Excretion
CLplasma
6.136
T1/2
0.633
Toxicity
DILI
++
Rat Oral Acute Toxicity
-
FDAMDD
+
Respiratory
++
Human Hepatotoxicity
++
Ototoxicity
+
Drug-induced Nephrotoxicity
++
Drug-induced Neurotoxicity
+++
Hematotoxicity
+
Genotoxicity
++
Tips: 1. For the classification endpoints, the prediction probability values are transformed into six symbols: 0-0.1 (- - -), 0.1-0.3 (- -), 0.3-0.5 (-), 0.5-0.7 (+), 0.7-0.9 (++), and 0.9-1.0 (+++).
2. Additionally, the corresponding relationships of the three labels are as follows: excellent; medium; poor.
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | |||||
| Formula |
C16H12N2
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| PubChem CID | |||||
| Canonical SMILES |
CN1C2=CC=CC=C2C=C3C1=C4C=CC=CC4=N3
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| InChI |
1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14/h2-10H,1H3
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| InChIKey |
KURWKDDWCJELSV-UHFFFAOYSA-N
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| CAS Number |
CAS 480-26-2
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| ChEBI ID | |||||
| Herb ID | |||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP | ||||||
| Mesalazine | Ulcerative colitis | Click to Show/Hide the Molecular Data of This Drug | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| In-vivo Model | Healthy adult male Wistar rats (220-250 g) were used throughout the study. | |||||
| Experimental
Result(s) |
Crocin and mesalazine produced protective effects on colon tissue via antioxidant and anti-inflammatory actions. In addition, a synergistic effect was observed between crocin and mesalazine in attenuating ulcerative colitis. | |||||
