CLOFAZIMINE

Search structure
Trade Names:
Synonyms:
Status: Approved (1986)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J04BA01
UNII: D959AE5USF

Structure
InChI Key WDQPAMHFFCXSNU-BGABXYSRSA-N
Smile CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
InChI
InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H22Cl2N4
Molecular Weight 473.41
AlogP 7.49
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 42.21
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor FDA ISBN
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family
- 6000-40000 - - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 12900-12900 - - -
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 10400 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Mycobacterium avium-intracellulare Infection 3 D015270 ClinicalTrials
Tuberculosis 3 D014376 ClinicalTrials
Crohn Disease 3 D003424 ClinicalTrials
Tuberculosis, Multidrug-Resistant 2 D018088 ClinicalTrials
Tuberculosis, Multidrug-Resistant 2 D018088 ClinicalTrials
Cryptosporidiosis 2 D003457 ClinicalTrials
Tuberculosis, Pulmonary 2 D014397 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Investigations
12.71
Gastrointestinal disorders
11.23
Respiratory, thoracic and mediastinal disorders
8.85
General disorders and administration site conditions
8.39
Infections and infestations
6.59
Nervous system disorders
6.55
Cardiac disorders
6.47
Injury, poisoning and procedural complications
5.3
Skin and subcutaneous tissue disorders
5.03
Metabolism and nutrition disorders
4.84
Vascular disorders
4.33
Psychiatric disorders
3.28
Hepatobiliary disorders
2.89
Blood and lymphatic system disorders
2.57
Musculoskeletal and connective tissue disorders
2.26

Cross References

Resources Reference
CAS NUMBER 2030-63-9
ChEBI 3749
ChEMBL CHEMBL1292
DrugBank DB00845
DrugCentral 692
FDA SRS D959AE5USF
Guide to Pharmacology 9184
KEGG C06915
SureChEMBL SCHEMBL26757
ZINC ZINC000100037101
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