The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
(2S,3S)-2-[[(1S)-3-amino-1-[[[(2S)-2-amino-3-hydroxy-propanoyl]amino]carbamoyl]-3-oxo-propyl]carbamoylamino]-3-hydroxy-butanoic acid ID: ALA5287840
Chembl Id: CHEMBL5287840
Max Phase: Preclinical
Molecular Formula: C12H22N6O8
Molecular Weight: 378.34
Associated Items:
Names and Identifiers Canonical SMILES: C[C@H](O)[C@H](NC(=O)N[C@@H](CC(N)=O)C(=O)NNC(=O)[C@@H](N)CO)C(=O)O
Standard InChI: InChI=1S/C12H22N6O8/c1-4(20)8(11(24)25)16-12(26)15-6(2-7(14)21)10(23)18-17-9(22)5(13)3-19/h4-6,8,19-20H,2-3,13H2,1H3,(H2,14,21)(H,17,22)(H,18,23)(H,24,25)(H2,15,16,26)/t4-,5-,6-,8-/m0/s1
Standard InChI Key: NJASRIPIAOCWFU-TYQACLPBSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: 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
Calculated Properties Molecular Weight: 378.34Molecular Weight (Monoisotopic): 378.1499AlogP: -5.17#Rotatable Bonds: 9Polar Surface Area: 246.20Molecular Species: ACIDHBA: 8HBD: 9#RO5 Violations: 1HBA (Lipinski): 14HBD (Lipinski): 11#RO5 Violations (Lipinski): 2CX Acidic pKa: 3.54CX Basic pKa: 7.41CX LogP: -7.97CX LogD: -8.23Aromatic Rings: ┄Heavy Atoms: 26QED Weighted: 0.17Np Likeness Score: -0.09