| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA306472
Max Phase: Preclinical
Molecular Formula: C17H14N2
Molecular Weight: 246.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nccc2c(C)c3[nH]c4ccccc4c3cc12
Standard InChI: InChI=1S/C17H14N2/c1-10-12-7-8-18-11(2)14(12)9-15-13-5-3-4-6-16(13)19-17(10)15/h3-9,19H,1-2H3
Standard InChI Key: ZIXGXMMUKPLXBB-UHFFFAOYSA-N
Associated Targets(Human)
NCI-H69 (709 Activities)
NCI-H417 (34 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
NCI-H460 (60772 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
NCI-H358 (882 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Homo sapiens (32628 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
L1210 (27553 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mus musculus (284745 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Plasmodium berghei (192651 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Plasmodium falciparum (966862 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 246.31 | Molecular Weight (Monoisotopic): 246.1157 | AlogP: 4.49 | #Rotatable Bonds: 0 |
| Polar Surface Area: 28.68 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.67 | CX LogP: 3.51 | CX LogD: 3.50 |
| Aromatic Rings: 4 | Heavy Atoms: 19 | QED Weighted: 0.49 | Np Likeness Score: 0.16 |
References
| 1. Acton EM, Narayanan VL, Risbood PA, Shoemaker RH, Vistica DT, Boyd MR.. (1994) Anticancer specificity of some ellipticinium salts against human brain tumors in vitro., 37 (14): [PMID:8035425] [10.1021/jm00040a010] |
| 2. Ruckdeschel JC, Modi SP, el-Hamouly W, Portuese E, Archer S.. (1992) N-methylcarbamate derivatives of ellipticine and olivacine with cytotoxic activity against four human lung cancer cell lines., 35 (26): [PMID:1479585] [10.1021/jm00104a011] |
| 3. Maftouh M, Besselievre R, Monsarrat B, Lesca P, Meunier B, Husson HP, Paoletti C.. (1985) Synthesis and cytotoxic activity of hydroxylated derivatives of olivacine in relation with their biotransformation., 28 (6): [PMID:4009591] [10.1021/jm00383a004] |
| 4. Montoia A, Rocha E Silva LF, Torres ZE, Costa DS, Henrique MC, Lima ES, Vasconcellos MC, Souza RC, Costa MR, Grafov A, Grafova I, Eberlin MN, Tadei WP, Amorim RC, Pohlit AM.. (2014) Antiplasmodial activity of synthetic ellipticine derivatives and an isolated analog., 24 (12): [PMID:24813729] [10.1016/j.bmcl.2014.04.070] |
Source
Source(1):