Details of the Drug

General Information of Drug (ID: DMVK36Q)

Drug Name
Hematoporphyrin
Synonyms
1,3,5,8-Tetramethyl-2,4-bis(alpha-hydroxyethyl)prophine-6,7-dipropionic acid; 2,18-Porphinedipropionic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-; 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl); 7,12-Bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acid; HEMATOPORPHYRIN; HP; HP (VAN); Haematoporphyrin; Hematoporphyrin I; Hematoporphyrin IX; ISOHEMATOPORPHYRIN IX; NSC 267084; NSC 59265; NSC59265; Photodyn
Therapeutic Class
Antiasthenia Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
2		 Molecular Weight 598.7
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 8
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 8
Chemical Identifiers
Formula
C34H38N4O6
IUPAC Name
3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
Canonical SMILES
CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O
InChI
InChI=1S/C34H38N4O6/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27/h11-14,19-20,37-40H,7-10H2,1-6H3,(H,41,42)(H,43,44)
InChIKey
KFKRXESVMDBTNQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11103
ChEBI ID
ChEBI:36162
CAS Number
14459-29-1
UNII
HBT6M5H379
DrugBank ID
DB16183
VARIDT ID
DR00336

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Breast cancer resistance protein (ABCG2) DTI7UX6 ABCG2_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Cellular phototoxicity evoked through the inhibition of human ABC transporter ABCG2 by cyclin-dependent kinase inhibitors in vitro. Pharm Res. 2009 Feb;26(2):449-58.