Daryamide D

ID: ALA4208471

Chembl Id: CHEMBL4208471

PubChem CID: 145966070

Max Phase: Preclinical

Molecular Formula: C18H26N2O5

Molecular Weight: 350.42

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(C)C/C=C/C=C/C(=O)NC1=C[C@@](O)(CCC(N)=O)[C@H]2O[C@H]2[C@@H]1O

Standard InChI:  InChI=1S/C18H26N2O5/c1-11(2)6-4-3-5-7-14(22)20-12-10-18(24,9-8-13(19)21)17-16(25-17)15(12)23/h3-5,7,10-11,15-17,23-24H,6,8-9H2,1-2H3,(H2,19,21)(H,20,22)/b4-3+,7-5+/t15-,16+,17+,18+/m1/s1

Standard InChI Key:  IKNDMKXZPGKFQH-ZOEXGBJOSA-N

Alternative Forms

1. Parent:

   

   ALA4208471

   ---

Molecule Features

Natural Product: No

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

Calculated Properties

Molecular Weight: 350.42

Molecular Weight (Monoisotopic): 350.1842

AlogP: 0.28

#Rotatable Bonds: 8

Polar Surface Area: 125.18

Molecular Species: NEUTRAL

HBA: 5

HBD: 4

#RO5 Violations: ┄

HBA (Lipinski): 7

HBD (Lipinski): 5

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 12.88

CX Basic pKa: ┄

CX LogP: -0.35

CX LogD: -0.35

Aromatic Rings: ┄

Heavy Atoms: 25

QED Weighted: 0.28

Np Likeness Score: 1.72

References

1. Fu P, La S, MacMillan JB..  (2017)  Daryamide Analogues from a Marine-Derived Streptomyces species.,  80  (4): [PMID:28225277] [10.1021/acs.jnatprod.7b00011]

Source

Source(1):

• Scientific Literature