(3-hydroxy-5-(6-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyridin-2-yl)phenyl)phosphonic acid trifluoroacetic acid salt

ID: ALA4526276

Chembl Id: CHEMBL4526276

PubChem CID: 155544081

Max Phase: Preclinical

Molecular Formula: C26H34F3N4O10P

Molecular Weight: 536.52

Molecule Type: Unknown

Associated Items:

Names and Identifiers

Canonical SMILES:  CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2cc(O)cc(P(=O)(O)O)c2)n1)[C@@H](CC)N(O)C=O.O=C(O)C(F)(F)F

Standard InChI:  InChI=1S/C24H33N4O8P.C2HF3O2/c1-3-5-6-8-19(22(4-2)28(33)15-29)23(31)25-14-26-24(32)21-10-7-9-20(27-21)16-11-17(30)13-18(12-16)37(34,35)36;3-2(4,5)1(6)7/h7,9-13,15,19,22,30,33H,3-6,8,14H2,1-2H3,(H,25,31)(H,26,32)(H2,34,35,36);(H,6,7)/t19-,22-;/m1./s1

Standard InChI Key:  GKYPNZRIUXBBOO-JENXBZAWSA-N

Associated Targets(Human)

BMP1 Tchem Bone morphogenetic protein 1 (1282 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TLL1 Tchem Tolloid-like protein 1 (400 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TLL2 Tchem Tolloid-like protein 2 (396 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: UnknownTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 536.52Molecular Weight (Monoisotopic): 536.2036AlogP: 1.88#Rotatable Bonds: 14
Polar Surface Area: 189.39Molecular Species: ACIDHBA: 7HBD: 6
#RO5 Violations: 2HBA (Lipinski): 12HBD (Lipinski): 6#RO5 Violations (Lipinski): 3
CX Acidic pKa: 1.41CX Basic pKa: 2.39CX LogP: 0.90CX LogD: -1.59
Aromatic Rings: 2Heavy Atoms: 37QED Weighted: 0.05Np Likeness Score: 0.07

References

1.  (2017)  Hydroxy formamide derivatives and their use, 

Source