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
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.