ID: ALA521606

Max Phase: Approved

First Approval: 1979

Molecular Formula: C17H27NO4

Molecular Weight: 309.41

Molecule Type: Small molecule

Representations

Synonyms (4): Nadolol | NSC-758430 | SQ 11725 | SQ-11725
Synonyms from Alternative Forms(4):

Trade Names(3): Corgard | Nadolol | Solgol

Canonical SMILES:  CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2

Standard InChI:  InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3

Standard InChI Key:  VWPOSFSPZNDTMJ-UHFFFAOYSA-N

Molecule Features

Natural Product: Yes

Oral: Yes

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: Yes

Chirality: No

Availability: Yes

Prodrug: No

Properties

Molecular Weight: 309.41

Molecular Weight (Monoisotopic): 309.1940

AlogP: 0.63

#Rotatable Bonds: 5

Polar Surface Area: 81.95

Molecular Species: BASE

HBA: 5

HBD: 4

#RO5 Violations: 0

HBA (Lipinski): 5

HBD (Lipinski): 4

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 13.59

CX Basic pKa: 9.76

CX LogP: 0.87

CX LogD: -1.44

Aromatic Rings: 1

Heavy Atoms: 22

QED Weighted: 0.64

Np Likeness Score: 0.26

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Source

Source(14):

• Scientific Literature
• PubChem BioAssays
• Clinical Candidates
• FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book)
• USP Dictionary of USAN and International Drug Names
• DrugMatrix
• TP-search Transporter Database
• CO-ADD antimicrobial screening data
• WHO Anatomical Therapeutic Chemical Classification
• British National Formulary
• SARS-CoV-2 Screening Data 2020-21
• IMI-CARE SARS-CoV-2 Data
• Fraunhofer HDAC6
• Zimmerman Lab Biotransformation data Dec 2023