5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)-[1,1'-biphenyl]-3-carboxylic acid

ID: ALA4562493

Chembl Id: CHEMBL4562493

PubChem CID: 124189778

Max Phase: Preclinical

Molecular Formula: C26H33N3O6

Molecular Weight: 483.57

Molecule Type: Unknown

Associated Items:

Names and Identifiers

Canonical SMILES:  CCCCC[C@@H](C(=O)NCNC(=O)c1cc(C(=O)O)cc(-c2ccccc2)c1)[C@@H](CC)N(O)C=O

Standard InChI:  InChI=1S/C26H33N3O6/c1-3-5-7-12-22(23(4-2)29(35)17-30)25(32)28-16-27-24(31)20-13-19(14-21(15-20)26(33)34)18-10-8-6-9-11-18/h6,8-11,13-15,17,22-23,35H,3-5,7,12,16H2,1-2H3,(H,27,31)(H,28,32)(H,33,34)/t22-,23-/m1/s1

Standard InChI Key:  FURGAXLPHVAPPJ-DHIUTWEWSA-N

Alternative Forms

  1. Parent:

    ALA4562493

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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: 483.57Molecular Weight (Monoisotopic): 483.2369AlogP: 3.68#Rotatable Bonds: 14
Polar Surface Area: 136.04Molecular Species: ACIDHBA: 5HBD: 4
#RO5 Violations: HBA (Lipinski): 9HBD (Lipinski): 4#RO5 Violations (Lipinski):
CX Acidic pKa: 3.81CX Basic pKa: CX LogP: 3.82CX LogD: 0.51
Aromatic Rings: 2Heavy Atoms: 35QED Weighted: 0.11Np Likeness Score: 0.02

References

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

Source