HPPH

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: DOB7Y3RSX0

Structure
InChI Key PVXGCBZIVFCMJK-NMWXTPPCSA-N
Smile CCCCCCOC(C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)O)[C@@H]3C
InChI
InChI=1S/C39H48N4O4/c1-8-10-11-12-15-47-24(7)36-22(5)30-17-29-21(4)26(13-14-35(45)46)38(42-29)27-16-34(44)37-23(6)31(43-39(27)37)18-32-25(9-2)20(3)28(40-32)19-33(36)41-30/h17-19,21,24,26,41,43H,8-16H2,1-7H3,(H,45,46)/b28-19-,29-17-,30-17-,31-18-,32-18-,33-19-,38-27-/t21-,24?,26-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C39H48N4O4
Molecular Weight 636.84
AlogP 9.42
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 120.96
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 47.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Squamous Cell Carcinoma of Head and Neck 2 D000077195 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Oropharyngeal Neoplasms 2 D009959 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Carcinoma, Verrucous 2 D018289 ClinicalTrials
Esophageal Neoplasms 2 D004938 ClinicalTrials
Barrett Esophagus 1 D001471 ClinicalTrials
Adenocarcinoma of Lung 1 D000077192 ClinicalTrials
Head and Neck Neoplasms 1 D006258 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL500853
DrugBank DB15243
FDA SRS DOB7Y3RSX0
SureChEMBL SCHEMBL12722713
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