Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01454
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| Drug Name |
Protoporphyrin
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| Synonyms |
protoporphyrin IX; protoporphyrin; 553-12-8; Ooporphyrin; Protoporpyrin IX; Porphyrinogen IX; Protoporphyrin IX disodium; Kammerer's prophyrin; ppIX; Protoporphyrin IX (VAN); H2ppIX; Kammerer's porphyrin; MLS001074731; UNII-C2K325S808; NSC2632; NSC 2632; EINECS 209-033-7; 3,7,12,17-Tetramethyl-8,13-divinyl-2,18-porphinedipropionic acid; SMR000127405; 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethenyl-3,8,13,17-tetramethyl-; CHEMBL267548; CHEBI:15430; C34H34N4O4
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| Drug Type |
Small molecular drug
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| Indication | Iron deficiency [ICD11:5B5K.0] | Preclinical | [1] | |||
| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C34H34N4O4
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| Canonical SMILES |
CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C
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| InChI |
InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)
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| InChIKey |
ZCFFYALKHPIRKJ-UHFFFAOYSA-N
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| CAS Number |
CAS 15415-30-2
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| Pharmaceutical Properties | Molecular Weight | 562.7 | Topological Polar Surface Area | 132 | ||
| Heavy Atom Count | 42 | Rotatable Bond Count | 8 | |||
| Hydrogen Bond Donor Count | 4 | Hydrogen Bond Acceptor Count | 6 | |||
| XLogP |
4.6
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| PubChem CID | ||||||
| PubChem SID |
5261
,69254
,596306
,841432
,4413024
,4903491
,7640482
,7890005
,8137800
,8143177
,8149710
,10526884
,11111672
,11335249
,11360488
,11364194
,11366756
,11369318
,11372499
,11373857
,11377480
,11461460
,11484907
,11488832
,11491255
,11492234
,11495114
,11537733
,14788515
,14837581
,17405531
,24278655
,26612168
,26681019
,26747639
,26747640
,26750425
,29224047
,32963314
,32964437
,46171309
,46506247
,47193689
,47217031
,47365444
,47811014
,48035384
,49748473
,50070313
,50071311
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| ChEBI ID |
ChEBI:15430
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| References | ||||||
| 1 | ClinicalTrials.gov (NCT03071497) Non-invasive Diagnostics of Iron Deficiency in Surgical Patients by Measuring Zinc Protoporphyrin-IX | |||||
| 2 | Pharmacogenomic importance of ABCG2. Pharmacogenomics. 2008 Aug;9(8):1005-9. | |||||
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