Betulinic acid 10 to 15μM on day4 R05 exp222
Mechanism of Action
Pentacyclic triterpenoid, claimed antiretroviral, antimalarial, anti-inflammatory, topoisomerase I/II inhibitor
- Class / Subclass 1: Infectious Disease / Antiviral
- Class / Subclass 2: DNA Damage, Repair and Replication / DNA Damaging Agent
- Class / Subclass 3: Uncharacterized Mechanism / Natural Product
Technical Notes
Compound References
- PubChem Name: Betulinic acid
- Synonyms: Lupatic acid; Betulic acid
- CAS #: 472-15-1
- PubChem CID: 64971
- IUPAC: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
- INCHI Name: InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
- INCHI Key: QGJZLNKBHJESQX-FZFNOLFKSA-N
- Molecular Weight: 456.7
- Canonical SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O
- Isomeric SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O
- Molecular Formula: C30H48O3
Compound Supplier
- Supplier Name: Toronto Research Chemicals
- Catalog #: B330250
- Lot #: 1-BLH-117-1
Compound Characterization
- HRMS (ESI-TOF) m/z: (M-H)- Calcd for C30 H48 O3 455.35307; found 455.35496
Dose Response Curve
- Platform ID: BETUNIC-ACID
- Min: -4.3933; Max: 50.2503
| IC | Concentration (µM) |
|---|---|
| IC10 | N/A |
| IC20 | 7.9330 |
| IC30 | 11.6823 |
| IC40 | 16.0442 |
| IC50 | N/A |
| IC60 | N/A |
| IC70 | N/A |
| IC80 | N/A |
| IC90 | N/A |
Screen Summary
- Round: 05
- Dose: 10-15µM
- Days of incubation: 8
- Doublings: 3.8
- Numbers of reads: 18794386
Screen Results
| Sensitive/Resistant hits (FDR<0.05) | CRANKS | Score Plot | Top 30 Genes | Screen Similarity | Top 30 Sensitive GO terms | Top 30 Resistant GO terms |
|---|---|---|---|---|---|---|
| 26/28 | Scores |
Betulinic acid 10 to 15μM on day4 R05 exp222
Betulinic acid 10 to 15μM on day4 R05 exp222 vs UM0011500 10μM R05 exp246
Betulinic acid 10 to 15μM on day4 R05 exp222 vs Doxycycline 10μM R00 exp18
Betulinic acid 10 to 15μM on day4 R05 exp222 vs Ethanol 0.01 R05 exp234
Betulinic acid 10 to 15μM on day4 R05 exp222 vs Rapamycin 10μM R00 exp30
